1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol

C14H17F3O2 — CID 62789057

IUPAC1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
SMILESOC1(c2ccccc2OC(F)(F)F)CCCCCC1
InChIInChI=1S/C14H17F3O2/c15-14(16,17)19-12-8-4-3-7-11(12)13(18)9-5-1-2-6-10-13/h3-4,7-8,18H,1-2,5-6,9-10H2
InChIKeyZBMQCTVQBYXPKO-UHFFFAOYSA-N
MW274.28 g/mol
LogP4.13
Rot. Bonds2

About 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol

1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol (PubChem CID 62789057) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
PubChem CID62789057
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
SMILESOC1(c2ccccc2OC(F)(F)F)CCCCCC1
InChIInChI=1S/C14H17F3O2/c15-14(16,17)19-12-8-4-3-7-11(12)13(18)9-5-1-2-6-10-13/h3-4,7-8,18H,1-2,5-6,9-10H2
InChIKeyZBMQCTVQBYXPKO-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
tert-butyl 4-hydroxy-4-[2-(trifluoromethoxy)phenyl]azepane-1-carboxylate
CID 90061321
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129033013
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 65050039
1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856640
2-ethyl-2-[2-(trifluoromethoxy)phenyl]azepane
CID 79119088
3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 114501959
1-(2-iodophenyl)cyclohexan-1-ol
CID 91620126
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol (CID 62789057) is 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol is OC1(c2ccccc2OC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol?
The InChIKey is ZBMQCTVQBYXPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c15-14(16,17)19-12-8-4-3-7-11(12)13(18)9-5-1-2-6-10-13/h3-4,7-8,18H,1-2,5-6,9-10H2.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol?
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol is sourced from PubChem (CID 62789057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).