3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine

C10H19F2N — CID 80604795

IUPAC3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(CC1CCCCC1)C(F)F
InChIInChI=1S/C10H19F2N/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h8-10,13H,2-7H2,1H3
InChIKeyZMGINUCUVCCOQI-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds4

About 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine

3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 80604795) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
PubChem CID80604795
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(CC1CCCCC1)C(F)F
InChIInChI=1S/C10H19F2N/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h8-10,13H,2-7H2,1H3
InChIKeyZMGINUCUVCCOQI-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
3-cyclopentyl-1,1-difluoro-N-propylpropan-2-amine
CID 103516567
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
CID 70425259
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
2-cyclohexyl-1-N'-methylethane-1,1-diamine
CID 139541919
1-cyclopropyl-N,3-dimethylbutan-2-amine
CID 64903822
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
3-cyclopentyl-1,1-difluoropropan-2-ol
CID 112575466
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
1-cycloheptyl-N-methyl-3-pyridin-4-ylbutan-2-amine
CID 114458229

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine (CID 80604795) is 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine is CNC(CC1CCCCC1)C(F)F.
What is the InChIKey of 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is ZMGINUCUVCCOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine?
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 80604795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).