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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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).