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1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-2,2-difluoroethanol

1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-2,2-difluoroethanol - CAS 1174866-02-4

Catalog:	BB053102
Product Name:	1-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-2,2-difluoroethanol
CAS:	1174866-02-4
Synonyms:	1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,2-difluoroethan-1-ol; 1-(1-ethyl-3-methylpyrazol-4-yl)-2,2-difluoroethan-1-ol

Technical Data

Computed Properties

IUPAC Name:	1-(1-ethyl-3-methylpyrazol-4-yl)-2,2-difluoroethanol
Molecular Weight:	190.19
Molecular Formula:	C8H12F2N2O
Canonical SMILES:	CCN1C=C(C(=N1)C)C(C(F)F)O
InChI:	InChI=1S/C8H12F2N2O/c1-3-12-4-6(5(2)11-12)7(13)8(9)10/h4,7-8,13H,3H2,1-2H3
InChI Key:	RQSXPYHWNKCNAG-UHFFFAOYSA-N
Boiling Point:	294.3±40.0 °C at 760 mmHg
Density:	1.3±0.1 g/cm3

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Related Functional Groups

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.09176933
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.09176933
Rotatable Bond Count:	3
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9