3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol

C16H21F3O — CID 83960319

IUPAC3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCCC1(c2ccc(C)c(C)c2)CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C16H21F3O/c1-4-14(13-6-5-11(2)12(3)9-13)7-8-15(20,10-14)16(17,18)19/h5-6,9,20H,4,7-8,10H2,1-3H3
InChIKeyJJCFNGWEMVYRDV-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.43
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol

3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 83960319) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID83960319
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCCC1(c2ccc(C)c(C)c2)CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C16H21F3O/c1-4-14(13-6-5-11(2)12(3)9-13)7-8-15(20,10-14)16(17,18)19/h5-6,9,20H,4,7-8,10H2,1-3H3
InChIKeyJJCFNGWEMVYRDV-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol (CID 83960319) is 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol is CCC1(c2ccc(C)c(C)c2)CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is JJCFNGWEMVYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-4-14(13-6-5-11(2)12(3)9-13)7-8-15(20,10-14)16(17,18)19/h5-6,9,20H,4,7-8,10H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol?
3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 286.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 83960319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).