2-cyclopentyl-5-(trifluoromethyl)phenol

C12H13F3O — CID 117104152

IUPAC2-cyclopentyl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1C1CCCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)9-5-6-10(11(16)7-9)8-3-1-2-4-8/h5-8,16H,1-4H2
InChIKeyMBSPORZMUUKZLP-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.07
Rot. Bonds1

About 2-cyclopentyl-5-(trifluoromethyl)phenol

2-cyclopentyl-5-(trifluoromethyl)phenol (PubChem CID 117104152) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-cyclopentyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-cyclopentyl-5-(trifluoromethyl)phenol
PubChem CID117104152
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2-cyclopentyl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1C1CCCC1
InChIInChI=1S/C12H13F3O/c13-12(14,15)9-5-6-10(11(16)7-9)8-3-1-2-4-8/h5-8,16H,1-4H2
InChIKeyMBSPORZMUUKZLP-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
CID 117104274
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 58591930
2,5-di(cyclononyl)phenol
CID 57426125
2-cycloheptyl-5-methylphenol
CID 45096882
5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
CID 23757260
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-cyclopentyl-5-(trifluoromethyl)phenol (CID 117104152) is 2-cyclopentyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-cyclopentyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-cyclopentyl-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-(trifluoromethyl)phenol?
The InChIKey is MBSPORZMUUKZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)9-5-6-10(11(16)7-9)8-3-1-2-4-8/h5-8,16H,1-4H2.
What are the key properties of 2-cyclopentyl-5-(trifluoromethyl)phenol?
2-cyclopentyl-5-(trifluoromethyl)phenol has a molecular weight of 230.23 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117104152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).