2-(1-cyclohexyl-2,2-difluoroethyl)phenol

C14H18F2O — CID 115043682

IUPAC2-(1-cyclohexyl-2,2-difluoroethyl)phenol
SMILESOc1ccccc1C(C(F)F)C1CCCCC1
InChIInChI=1S/C14H18F2O/c15-14(16)13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17/h4-5,8-10,13-14,17H,1-3,6-7H2
InChIKeyMBYYTWOPDWXDQY-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.32
Rot. Bonds3

About 2-(1-cyclohexyl-2,2-difluoroethyl)phenol

2-(1-cyclohexyl-2,2-difluoroethyl)phenol (PubChem CID 115043682) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2,2-difluoroethyl)phenol.

Molecular Properties

Compound Name2-(1-cyclohexyl-2,2-difluoroethyl)phenol
PubChem CID115043682
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name2-(1-cyclohexyl-2,2-difluoroethyl)phenol
SMILESOc1ccccc1C(C(F)F)C1CCCCC1
InChIInChI=1S/C14H18F2O/c15-14(16)13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17/h4-5,8-10,13-14,17H,1-3,6-7H2
InChIKeyMBYYTWOPDWXDQY-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1-cyclopentyl-2,2-difluoroethyl)phenyl]methanol
CID 115043683
[2-(1-cyclobutyl-2,2-difluoroethyl)phenyl]methanol
CID 115035529
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
2-(1-cyclobutyl-2-hydroxyethyl)phenol
CID 115019132
2-(difluoromethyl)phenol
CID 21386914
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
2-[azepan-2-yl(hydroxy)methyl]phenol
CID 84686926
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171261002

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2,2-difluoroethyl)phenol?
The IUPAC name of 2-(1-cyclohexyl-2,2-difluoroethyl)phenol (CID 115043682) is 2-(1-cyclohexyl-2,2-difluoroethyl)phenol.
What is the SMILES notation for 2-(1-cyclohexyl-2,2-difluoroethyl)phenol?
The canonical SMILES for 2-(1-cyclohexyl-2,2-difluoroethyl)phenol is Oc1ccccc1C(C(F)F)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexyl-2,2-difluoroethyl)phenol?
The InChIKey is MBYYTWOPDWXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c15-14(16)13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17/h4-5,8-10,13-14,17H,1-3,6-7H2.
What are the key properties of 2-(1-cyclohexyl-2,2-difluoroethyl)phenol?
2-(1-cyclohexyl-2,2-difluoroethyl)phenol has a molecular weight of 240.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2,2-difluoroethyl)phenol is sourced from PubChem (CID 115043682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).