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

C12H18F5NO — CID 165496381

IUPAC3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H18F5NO/c13-11(14)3-5-18(6-4-11)10-7-8(19)1-2-9(10)12(15,16)17/h8-10,19H,1-7H2
InChIKeyXRCYVRNKKWKXQB-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.81
Rot. Bonds1

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

3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496381) has the molecular formula C12H18F5NO and a molecular weight of 287.27 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496381
Molecular FormulaC12H18F5NO
Molecular Weight287.27 g/mol
Exact Mass287.13
IUPAC Name3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)F)C(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H18F5NO/c13-11(14)3-5-18(6-4-11)10-7-8(19)1-2-9(10)12(15,16)17/h8-10,19H,1-7H2
InChIKeyXRCYVRNKKWKXQB-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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Related Compounds

3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
4-[(4,4-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991245
4-[(3,3-Difluoropiperidin-1-yl)methyl]cyclohexan-1-ol
CID 116991364
2-(2,2,2-Trifluoroethyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050342
rel-(2S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-2-ethyl-4-piperidinol
CID 137343868
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496381) is 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(C(F)(F)F)C(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XRCYVRNKKWKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F5NO/c13-11(14)3-5-18(6-4-11)10-7-8(19)1-2-9(10)12(15,16)17/h8-10,19H,1-7H2.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(4,4-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-(4,4-difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).