4-[2-(difluoromethyl)cyclohexyl]phenol

C13H16F2O — CID 115035515

IUPAC4-[2-(difluoromethyl)cyclohexyl]phenol
SMILESOc1ccc(C2CCCCC2C(F)F)cc1
InChIInChI=1S/C13H16F2O/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h5-8,11-13,16H,1-4H2
InChIKeyXQZVBVYVXGMRAK-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.93
Rot. Bonds2

About 4-[2-(difluoromethyl)cyclohexyl]phenol

4-[2-(difluoromethyl)cyclohexyl]phenol (PubChem CID 115035515) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[2-(difluoromethyl)cyclohexyl]phenol
PubChem CID115035515
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-[2-(difluoromethyl)cyclohexyl]phenol
SMILESOc1ccc(C2CCCCC2C(F)F)cc1
InChIInChI=1S/C13H16F2O/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h5-8,11-13,16H,1-4H2
InChIKeyXQZVBVYVXGMRAK-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethyl)cyclohexyl]phenol?
The IUPAC name of 4-[2-(difluoromethyl)cyclohexyl]phenol (CID 115035515) is 4-[2-(difluoromethyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[2-(difluoromethyl)cyclohexyl]phenol?
The canonical SMILES for 4-[2-(difluoromethyl)cyclohexyl]phenol is Oc1ccc(C2CCCCC2C(F)F)cc1.
What is the InChIKey of 4-[2-(difluoromethyl)cyclohexyl]phenol?
The InChIKey is XQZVBVYVXGMRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c14-13(15)12-4-2-1-3-11(12)9-5-7-10(16)8-6-9/h5-8,11-13,16H,1-4H2.
What are the key properties of 4-[2-(difluoromethyl)cyclohexyl]phenol?
4-[2-(difluoromethyl)cyclohexyl]phenol has a molecular weight of 226.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)cyclohexyl]phenol is sourced from PubChem (CID 115035515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).