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3-[5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-4,4,4-trifluorobutanoic acid

3-[5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-4,4,4-trifluorobutanoic acid - CAS 2054954-33-3

Catalog:	BB051199
Product Name:	3-[5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-4,4,4-trifluorobutanoic acid
CAS:	2054954-33-3
Synonyms:	1H-Pyrazole-1-propanoic acid, 5-cyclopropyl-3-(difluoromethyl)-β-(trifluoromethyl)-

Technical Data

Computed Properties

IUPAC Name:	3-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-4,4,4-trifluorobutanoic acid
Molecular Weight:	298.21
Molecular Formula:	C11H11F5N2O2
Canonical SMILES:	C1CC1C2=CC(=NN2C(CC(=O)O)C(F)(F)F)C(F)F
InChI:	InChI=1S/C11H11F5N2O2/c12-10(13)6-3-7(5-1-2-5)18(17-6)8(4-9(19)20)11(14,15)16/h3,5,8,10H,1-2,4H2,(H,19,20)
InChI Key:	LRGWWEINPRJZRG-UHFFFAOYSA-N
Boiling Point:	363.8±42.0°C at 760 mmHg
Density:	1.6±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Complexity:	372
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	298.07406841
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	298.07406841
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2