(1S)-3,3-difluoro-N-methylcyclohexan-1-amine

C7H13F2N — CID 177192029

IUPAC(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
SMILESCN[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c1-10-6-3-2-4-7(8,9)5-6/h6,10H,2-5H2,1H3/t6-/m0/s1
InChIKeyUDBNOXNPNNHCLW-LURJTMIESA-N
MW149.18 g/mol
LogP1.78
Rot. Bonds1

About (1S)-3,3-difluoro-N-methylcyclohexan-1-amine

(1S)-3,3-difluoro-N-methylcyclohexan-1-amine (PubChem CID 177192029) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (1S)-3,3-difluoro-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
PubChem CID177192029
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
SMILESCN[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2N/c1-10-6-3-2-4-7(8,9)5-6/h6,10H,2-5H2,1H3/t6-/m0/s1
InChIKeyUDBNOXNPNNHCLW-LURJTMIESA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 69284526
N-methylspiro[5.6]dodecan-4-amine
CID 170362418
(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 114226093
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
3-cyclopropyl-1,1-difluorocyclohexane
CID 174758607
N-(3,3-difluorocyclohexyl)-3-fluoroaniline
CID 170406630
N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
CID 175966834
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
[cyclopropyl-(3,3-difluorocyclohexyl)methyl]hydrazine
CID 130485115
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-[2-(3,3-difluorocyclohexyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114216514
N-methylcyclohexanamine
CID 7514

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-N-methylcyclohexan-1-amine?
The IUPAC name of (1S)-3,3-difluoro-N-methylcyclohexan-1-amine (CID 177192029) is (1S)-3,3-difluoro-N-methylcyclohexan-1-amine.
What is the SMILES notation for (1S)-3,3-difluoro-N-methylcyclohexan-1-amine?
The canonical SMILES for (1S)-3,3-difluoro-N-methylcyclohexan-1-amine is CN[C@H]1CCCC(F)(F)C1.
What is the InChIKey of (1S)-3,3-difluoro-N-methylcyclohexan-1-amine?
The InChIKey is UDBNOXNPNNHCLW-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2N/c1-10-6-3-2-4-7(8,9)5-6/h6,10H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-N-methylcyclohexan-1-amine?
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-N-methylcyclohexan-1-amine is sourced from PubChem (CID 177192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).