3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol

C14H17F3O2 — CID 80699709

IUPAC3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESCC1(C)CCC(O)(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H17F3O2/c1-12(2)7-8-13(18,9-12)10-5-3-4-6-11(10)19-14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeyDHJGGSWRHCREEF-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.98
Rot. Bonds2

About 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol

3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol (PubChem CID 80699709) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
PubChem CID80699709
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESCC1(C)CCC(O)(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H17F3O2/c1-12(2)7-8-13(18,9-12)10-5-3-4-6-11(10)19-14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeyDHJGGSWRHCREEF-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 80706187
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 65050039
3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol
CID 115999419
3-(2-methoxyphenyl)-5,5-dimethylthian-3-ol
CID 79946466
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 114501959
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129033013

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol (CID 80699709) is 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol is CC1(C)CCC(O)(c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The InChIKey is DHJGGSWRHCREEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-12(2)7-8-13(18,9-12)10-5-3-4-6-11(10)19-14(15,16)17/h3-6,18H,7-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 80699709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).