2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol

C13H15F3O2 — CID 65050039

IUPAC2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESCC1CCCC1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3O2/c1-9-5-4-8-12(9,17)10-6-2-3-7-11(10)18-13(14,15)16/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyHJMFIQVCLKHAFQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.59
Rot. Bonds2

About 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol

2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol (PubChem CID 65050039) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
PubChem CID65050039
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESCC1CCCC1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H15F3O2/c1-9-5-4-8-12(9,17)10-6-2-3-7-11(10)18-13(14,15)16/h2-3,6-7,9,17H,4-5,8H2,1H3
InChIKeyHJMFIQVCLKHAFQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 114501959
2-methyl-1-(2-propoxyphenyl)cyclopentan-1-ol
CID 104658757
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856640
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
CID 12611391
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
2-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 102751617
trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol
CID 14320166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The IUPAC name of 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol (CID 65050039) is 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol is CC1CCCC1(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The InChIKey is HJMFIQVCLKHAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-9-5-4-8-12(9,17)10-6-2-3-7-11(10)18-13(14,15)16/h2-3,6-7,9,17H,4-5,8H2,1H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 65050039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).