2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol

C15H19F3O2 — CID 106663685

IUPAC2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3O2/c1-10-8-13(2,3)9-14(10,19)11-6-4-5-7-12(11)20-15(16,17)18/h4-7,10,19H,8-9H2,1-3H3
InChIKeySHJWUFRCFYMQEH-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.23
Rot. Bonds2

About 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol

2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol (PubChem CID 106663685) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
PubChem CID106663685
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H19F3O2/c1-10-8-13(2,3)9-14(10,19)11-6-4-5-7-12(11)20-15(16,17)18/h4-7,10,19H,8-9H2,1-3H3
InChIKeySHJWUFRCFYMQEH-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 65050039
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 114501959
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663829
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
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
1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856640
methyl 3-amino-1-[2-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylate;hydrochloride
CID 167714366
1-(4-bromo-3-chloro-2-fluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106761590

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol (CID 106663685) is 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol is CC1CC(C)(C)CC1(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The InChIKey is SHJWUFRCFYMQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-10-8-13(2,3)9-14(10,19)11-6-4-5-7-12(11)20-15(16,17)18/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 106663685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).