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

C14H16F4O — CID 107287864

IUPAC2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCCC1CCCC1(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H16F4O/c1-2-9-4-3-7-13(9,19)10-5-6-11(12(15)8-10)14(16,17)18/h5-6,8-9,19H,2-4,7H2,1H3
InChIKeyCNVMMGWMAZPFHM-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.24
Rot. Bonds2

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

2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol (PubChem CID 107287864) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
PubChem CID107287864
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCCC1CCCC1(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H16F4O/c1-2-9-4-3-7-13(9,19)10-5-6-11(12(15)8-10)14(16,17)18/h5-6,8-9,19H,2-4,7H2,1H3
InChIKeyCNVMMGWMAZPFHM-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol (CID 107287864) is 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol is CCC1CCCC1(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The InChIKey is CNVMMGWMAZPFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c1-2-9-4-3-7-13(9,19)10-5-6-11(12(15)8-10)14(16,17)18/h5-6,8-9,19H,2-4,7H2,1H3.
What are the key properties of 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol has a molecular weight of 276.27 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 107287864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).