3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C12H18F5NO — CID 165490703

IUPAC3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCCC(F)(F)C2)C1
InChIInChI=1S/C12H18F5NO/c13-11(14)4-1-5-18(7-11)10-6-8(19)2-3-9(10)12(15,16)17/h8-10,19H,1-7H2
InChIKeyBZJFLPBMLIJDFX-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.81
Rot. Bonds1

About 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490703) has the molecular formula C12H18F5NO and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490703
Molecular FormulaC12H18F5NO
Molecular Weight287.27 g/mol
Exact Mass287.13
IUPAC Name3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCCC(F)(F)C2)C1
InChIInChI=1S/C12H18F5NO/c13-11(14)4-1-5-18(7-11)10-6-8(19)2-3-9(10)12(15,16)17/h8-10,19H,1-7H2
InChIKeyBZJFLPBMLIJDFX-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490703) is 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CCCC(F)(F)C2)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BZJFLPBMLIJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F5NO/c13-11(14)4-1-5-18(7-11)10-6-8(19)2-3-9(10)12(15,16)17/h8-10,19H,1-7H2.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 287.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).