1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol

C15H25F3O — CID 152741278

IUPAC1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol
SMILESOC1(C2CCCCCC2)CCCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3O/c16-15(17,18)13-9-5-6-10-14(19,11-13)12-7-3-1-2-4-8-12/h12-13,19H,1-11H2
InChIKeyZZQVPINTRPHZHH-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.83
Rot. Bonds1

About 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol

1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol (PubChem CID 152741278) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol
PubChem CID152741278
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol
SMILESOC1(C2CCCCCC2)CCCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3O/c16-15(17,18)13-9-5-6-10-14(19,11-13)12-7-3-1-2-4-8-12/h12-13,19H,1-11H2
InChIKeyZZQVPINTRPHZHH-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64515969
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 131858050
1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758872
1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758857
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol?
The IUPAC name of 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol (CID 152741278) is 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol.
What is the SMILES notation for 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol?
The canonical SMILES for 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol is OC1(C2CCCCCC2)CCCCC(C(F)(F)F)C1.
What is the InChIKey of 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol?
The InChIKey is ZZQVPINTRPHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c16-15(17,18)13-9-5-6-10-14(19,11-13)12-7-3-1-2-4-8-12/h12-13,19H,1-11H2.
What are the key properties of 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol?
1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol is sourced from PubChem (CID 152741278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).