2-[1-(fluoromethyl)cyclohexyl]phenol

C13H17FO — CID 84722739

IUPAC2-[1-(fluoromethyl)cyclohexyl]phenol
SMILESOc1ccccc1C1(CF)CCCCC1
InChIInChI=1S/C13H17FO/c14-10-13(8-4-1-5-9-13)11-6-2-3-7-12(11)15/h2-3,6-7,15H,1,4-5,8-10H2
InChIKeyVHEUQSVDEJTQIO-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.56
Rot. Bonds2

About 2-[1-(fluoromethyl)cyclohexyl]phenol

2-[1-(fluoromethyl)cyclohexyl]phenol (PubChem CID 84722739) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[1-(fluoromethyl)cyclohexyl]phenol.

Molecular Properties

Compound Name2-[1-(fluoromethyl)cyclohexyl]phenol
PubChem CID84722739
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-[1-(fluoromethyl)cyclohexyl]phenol
SMILESOc1ccccc1C1(CF)CCCCC1
InChIInChI=1S/C13H17FO/c14-10-13(8-4-1-5-9-13)11-6-2-3-7-12(11)15/h2-3,6-7,15H,1,4-5,8-10H2
InChIKeyVHEUQSVDEJTQIO-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(fluoromethyl)cyclohexyl]-2-methoxybenzene
CID 84725137
2-[1-(isocyanomethyl)cyclopentyl]phenol
CID 105453650
1-[1-(fluoromethyl)cyclopropyl]-2-methylbenzene
CID 84716994
2-[1-(sulfanylmethyl)cyclopropyl]phenol
CID 115015755
2-[1-(diethylaminomethyl)cyclobutyl]phenol
CID 115039759
2-[1-(azetidin-1-ylmethyl)cyclopropyl]phenol
CID 115023091
2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
CID 115044146
2-[1-(dimethylamino)cyclohexyl]phenol
CID 115031583
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103
2-[1-(aminomethyl)cyclopent-3-en-1-yl]phenol
CID 115063001
benzene-1,2-diol;cyclohexane
CID 175415805

Frequently Asked Questions

What is the IUPAC name of 2-[1-(fluoromethyl)cyclohexyl]phenol?
The IUPAC name of 2-[1-(fluoromethyl)cyclohexyl]phenol (CID 84722739) is 2-[1-(fluoromethyl)cyclohexyl]phenol.
What is the SMILES notation for 2-[1-(fluoromethyl)cyclohexyl]phenol?
The canonical SMILES for 2-[1-(fluoromethyl)cyclohexyl]phenol is Oc1ccccc1C1(CF)CCCCC1.
What is the InChIKey of 2-[1-(fluoromethyl)cyclohexyl]phenol?
The InChIKey is VHEUQSVDEJTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c14-10-13(8-4-1-5-9-13)11-6-2-3-7-12(11)15/h2-3,6-7,15H,1,4-5,8-10H2.
What are the key properties of 2-[1-(fluoromethyl)cyclohexyl]phenol?
2-[1-(fluoromethyl)cyclohexyl]phenol has a molecular weight of 208.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(fluoromethyl)cyclohexyl]phenol is sourced from PubChem (CID 84722739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).