2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol

C12H12F4O — CID 107289990

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESOC1CCCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4O/c13-10-5-4-7(6-9(10)12(14,15)16)8-2-1-3-11(8)17/h4-6,8,11,17H,1-3H2
InChIKeyFPWDVAZBJWLNEG-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.47
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol

2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol (PubChem CID 107289990) has the molecular formula C12H12F4O and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
PubChem CID107289990
Molecular FormulaC12H12F4O
Molecular Weight248.22 g/mol
Exact Mass248.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESOC1CCCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F4O/c13-10-5-4-7(6-9(10)12(14,15)16)8-2-1-3-11(8)17/h4-6,8,11,17H,1-3H2
InChIKeyFPWDVAZBJWLNEG-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenylcyclopentan-1-ol
CID 316766
Benzenepropanol, 3-(trifluoromethyl)-
CID 18755618
3-(Trifluoromethyl)phenethylic alcohol
CID 95926
1-(3-Trifluoromethylphenyl)-2-propanol
CID 150791
(1R,2S)-2-phenylcyclopentan-1-ol
CID 10899006
1-(Perfluoropropyl)-5-phenylpentanol
CID 25137230
1,1,1-Trifluoro-3-phenylpropan-2-ol
CID 2781530
2-Phenylcyclobutan-1-ol
CID 15765220
1-(3-(Trifluoromethyl)phenyl)prop-2-en-1-ol
CID 21074822
3-Phenylcyclopentan-1-ol
CID 275620
2-(4-(Trifluoromethyl)phenyl)propan-1-ol
CID 65814919
m-Isopropylphenethyl alcohol
CID 110369

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol (CID 107289990) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol is OC1CCCC1c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The InChIKey is FPWDVAZBJWLNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O/c13-10-5-4-7(6-9(10)12(14,15)16)8-2-1-3-11(8)17/h4-6,8,11,17H,1-3H2.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol?
2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol has a molecular weight of 248.22 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 107289990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).