1-cyclohexyl-2,2-difluoro-N-methylethanamine

C9H17F2N — CID 80606050

IUPAC1-cyclohexyl-2,2-difluoro-N-methylethanamine
SMILESCNC(C(F)F)C1CCCCC1
InChIInChI=1S/C9H17F2N/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-9,12H,2-6H2,1H3
InChIKeyDYFSLCVDOCOENT-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About 1-cyclohexyl-2,2-difluoro-N-methylethanamine

1-cyclohexyl-2,2-difluoro-N-methylethanamine (PubChem CID 80606050) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2,2-difluoro-N-methylethanamine
PubChem CID80606050
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-cyclohexyl-2,2-difluoro-N-methylethanamine
SMILESCNC(C(F)F)C1CCCCC1
InChIInChI=1S/C9H17F2N/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-9,12H,2-6H2,1H3
InChIKeyDYFSLCVDOCOENT-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311643
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
1-cyclohexyl-N-methyl-2-methylsulfonylpropan-1-amine
CID 114981438
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
(1S)-1-cyclohexyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 59965988
(1-cyclobutyl-2,2-difluoroethyl)hydrazine
CID 105265227
1-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 79616561
cyclohexyl(methylamino)methanethiol
CID 116954590
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-cyclohexyl-2,2-difluoro-N-methylethanamine (CID 80606050) is 1-cyclohexyl-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-cyclohexyl-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-cyclohexyl-2,2-difluoro-N-methylethanamine is CNC(C(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-difluoro-N-methylethanamine?
The InChIKey is DYFSLCVDOCOENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-2,2-difluoro-N-methylethanamine?
1-cyclohexyl-2,2-difluoro-N-methylethanamine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 80606050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).