2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol

C14H17F3O — CID 113483854

IUPAC2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCCC1CCCC1(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O/c1-2-10-6-5-9-13(10,18)11-7-3-4-8-12(11)14(15,16)17/h3-4,7-8,10,18H,2,5-6,9H2,1H3
InChIKeyORIQLAQHAUKKRU-UHFFFAOYSA-N
MW258.28 g/mol
LogP4.10
Rot. Bonds2

About 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol

2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol (PubChem CID 113483854) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol
PubChem CID113483854
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCCC1CCCC1(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O/c1-2-10-6-5-9-13(10,18)11-7-3-4-8-12(11)14(15,16)17/h3-4,7-8,10,18H,2,5-6,9H2,1H3
InChIKeyORIQLAQHAUKKRU-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107287864
2-methoxy-1-[2-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 106873665
2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol
CID 113483858
2-ethyl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 104658729
1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
CID 81142236
2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 66467423
3-amino-1-[2-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 80561038
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
1-(2,6-dimethoxyphenyl)-2-ethylcyclohexan-1-ol
CID 116809729
[3-(2-ethyl-1-hydroxycyclohexyl)phenyl] trifluoromethanesulfonate
CID 58912078
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
CID 172860633

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol (CID 113483854) is 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol is CCC1CCCC1(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The InChIKey is ORIQLAQHAUKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c1-2-10-6-5-9-13(10,18)11-7-3-4-8-12(11)14(15,16)17/h3-4,7-8,10,18H,2,5-6,9H2,1H3.
What are the key properties of 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol?
2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol has a molecular weight of 258.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 113483854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).