2,2-difluorocyclohexan-1-amine;methane

C7H15F2N — CID 73357625

IUPAC2,2-difluorocyclohexan-1-amine;methane
SMILESC.NC1CCCCC1(F)F
InChIInChI=1S/C6H11F2N.CH4/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H4
InChIKeyPIZYXHWSXWKHEX-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.16
Rot. Bonds

About 2,2-difluorocyclohexan-1-amine;methane

2,2-difluorocyclohexan-1-amine;methane (PubChem CID 73357625) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is 2,2-difluorocyclohexan-1-amine;methane.

Molecular Properties

Compound Name2,2-difluorocyclohexan-1-amine;methane
PubChem CID73357625
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC Name2,2-difluorocyclohexan-1-amine;methane
SMILESC.NC1CCCCC1(F)F
InChIInChI=1S/C6H11F2N.CH4/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H4
InChIKeyPIZYXHWSXWKHEX-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluorocyclohexan-1-amine hydrochloride
CID 54772395
(4,4-Difluorocyclohexyl)amine
CID 3847030
5,5,6,6,7,7,7-Heptafluoroheptan-3-amine
CID 418966
4,4-difluoro-N-methylcyclohexan-1-amine
CID 22224996
4,4-Difluorocyclohexan-1-amine hydrochloride
CID 23150669
2,2-Difluorocyclohexan-1-amine hydrochloride
CID 66791418
3,3-Difluorocyclohexan-1-amine hydrochloride
CID 71711147
3-Fluorocyclohexan-1-amine hydrochloride
CID 84716542
(1S)-2,2-difluorocyclohexan-1-amine hydrochloride
CID 92131084
(1S,2R)-2-fluorocyclohexan-1-amine hydrochloride
CID 117587785
4,4-difluoro-N-methylcyclohexan-1-amine hydrochloride
CID 119031428
(1R,2S)-2-fluorocyclohexan-1-amine hydrochloride
CID 126818648

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclohexan-1-amine;methane?
The IUPAC name of 2,2-difluorocyclohexan-1-amine;methane (CID 73357625) is 2,2-difluorocyclohexan-1-amine;methane.
What is the SMILES notation for 2,2-difluorocyclohexan-1-amine;methane?
The canonical SMILES for 2,2-difluorocyclohexan-1-amine;methane is C.NC1CCCCC1(F)F.
What is the InChIKey of 2,2-difluorocyclohexan-1-amine;methane?
The InChIKey is PIZYXHWSXWKHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.CH4/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H4.
What are the key properties of 2,2-difluorocyclohexan-1-amine;methane?
2,2-difluorocyclohexan-1-amine;methane has a molecular weight of 151.20 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclohexan-1-amine;methane is sourced from PubChem (CID 73357625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).