4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol

C13H25F2NO — CID 165491978

IUPAC4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C13H25F2NO/c1-13(2,3)10-6-5-9(17)7-11(10)16(4)8-12(14)15/h9-12,17H,5-8H2,1-4H3
InChIKeyLJWDUVNHCJBJJO-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.76
Rot. Bonds3

About 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol

4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol (PubChem CID 165491978) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
PubChem CID165491978
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C13H25F2NO/c1-13(2,3)10-6-5-9(17)7-11(10)16(4)8-12(14)15/h9-12,17H,5-8H2,1-4H3
InChIKeyLJWDUVNHCJBJJO-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765157
4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765342
4-Tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765538
4-Tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765906
4-Tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609042
4-Tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609391
4-Tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609553
4-Propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62703991
4-Tert-butyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-ol
CID 65530303
4-Tert-butyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 65531551
4-Tert-butyl-2-[[2,2-difluoroethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 113503083
4-Tert-butyl-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 116316863

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol (CID 165491978) is 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol is CN(CC(F)F)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is LJWDUVNHCJBJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-13(2,3)10-6-5-9(17)7-11(10)16(4)8-12(14)15/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol?
4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165491978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).