4-(Trifluoromethyl)cyclohexanol - CAS 30129-18-1
Catalog: |
BB020461 |
Product Name: |
4-(Trifluoromethyl)cyclohexanol |
CAS: |
30129-18-1 |
Synonyms: |
4-(trifluoromethyl)-1-cyclohexanol; 4-(trifluoromethyl)cyclohexan-1-ol |
IUPAC Name: | 4-(trifluoromethyl)cyclohexan-1-ol |
Description: | 4-(Trifluoromethyl)cyclohexanol (CAS# 30129-18-1) is a useful research chemical. |
Molecular Weight: | 168.16 |
Molecular Formula: | C7H11F3O |
Canonical SMILES: | C1CC(CCC1C(F)(F)F)O |
InChI: | InChI=1S/C7H11F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2 |
InChI Key: | VJUJYNJEPPWWHS-UHFFFAOYSA-N |
Boiling Point: | 160.366 °C at 760 mmHg |
Density: | 1.232 g/cm3 |
MDL: | MFCD00102144 |
LogP: | 2.09980 |
GHS Hazard Statement: | H302 (79.17%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112940740-A | Synthesis method of 4-substituent cyclohexanone liquid crystal material | 20210203 |
CN-112811995-A | Synthesis method of 4-substituent cyclohexanone liquid crystal intermediate | 20210114 |
CN-112341546-A | Preparation method of fluorinated biomass membrane material | 20201027 |
EP-3892614-A1 | (1h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer | 20200407 |
WO-2021204823-A1 | (1 h-indol-5-yl)acrylamide derivatives as inhibitors of tead proteins and the hippo-yap1/taz signaling cascade for the treatment of cancer | 20200407 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.07619946 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.07619946 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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