[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol

C14H17F3O — CID 67158902

IUPAC[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol
SMILESOCc1ccc(C2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-4,12-13,18H,5-9H2
InChIKeySZJGBNYKNNJZJL-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.01
Rot. Bonds2

About [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol

[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol (PubChem CID 67158902) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol
PubChem CID67158902
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol
SMILESOCc1ccc(C2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H17F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-4,12-13,18H,5-9H2
InChIKeySZJGBNYKNNJZJL-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol?
The IUPAC name of [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol (CID 67158902) is [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol.
What is the SMILES notation for [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol?
The canonical SMILES for [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol is OCc1ccc(C2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol?
The InChIKey is SZJGBNYKNNJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-4,12-13,18H,5-9H2.
What are the key properties of [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol?
[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol has a molecular weight of 258.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol is sourced from PubChem (CID 67158902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).