1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol

C14H23F3O — CID 82927882

IUPAC1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3O/c15-14(16,17)12-7-9-13(18,10-8-12)11-5-3-1-2-4-6-11/h11-12,18H,1-10H2
InChIKeyKUSKRMYPORSJTB-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.44
Rot. Bonds1

About 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol

1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 82927882) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID82927882
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C2CCCCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3O/c15-14(16,17)12-7-9-13(18,10-8-12)11-5-3-1-2-4-6-11/h11-12,18H,1-10H2
InChIKeyKUSKRMYPORSJTB-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol (CID 82927882) is 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol is OC1(C2CCCCCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KUSKRMYPORSJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O/c15-14(16,17)12-7-9-13(18,10-8-12)11-5-3-1-2-4-6-11/h11-12,18H,1-10H2.
What are the key properties of 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol?
1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 264.33 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 82927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).