1,1-difluoro-5-methylhexan-2-amine

C7H15F2N — CID 103759774

IUPAC1,1-difluoro-5-methylhexan-2-amine
SMILESCC(C)CCC(N)C(F)F
InChIInChI=1S/C7H15F2N/c1-5(2)3-4-6(10)7(8)9/h5-7H,3-4,10H2,1-2H3
InChIKeyZNJJSMVXEGXTRW-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.02
Rot. Bonds4

About 1,1-difluoro-5-methylhexan-2-amine

1,1-difluoro-5-methylhexan-2-amine (PubChem CID 103759774) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is 1,1-difluoro-5-methylhexan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-5-methylhexan-2-amine
PubChem CID103759774
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC Name1,1-difluoro-5-methylhexan-2-amine
SMILESCC(C)CCC(N)C(F)F
InChIInChI=1S/C7H15F2N/c1-5(2)3-4-6(10)7(8)9/h5-7H,3-4,10H2,1-2H3
InChIKeyZNJJSMVXEGXTRW-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441
2,3,7-trimethyloctan-4-amine
CID 115834649
(2S)-2-amino-5-methylhexane-1,1-diol
CID 134578683
2,8-dimethylnonan-5-amine
CID 15030000
1,1-difluorodecan-2-amine
CID 103516493
4-methylpentane-1,1-diamine;dihydrochloride
CID 87818690
5,5-difluoropentane-1,4-diamine;hydrochloride
CID 22752191
(2S,3R)-2-(18F)fluoro-3,6-dimethylheptane
CID 153412007
1-chloro-4-methylpentan-1-amine
CID 147653436
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
4-fluoro-2,7-dimethyloctan-3-one
CID 176842695

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methylhexan-2-amine?
The IUPAC name of 1,1-difluoro-5-methylhexan-2-amine (CID 103759774) is 1,1-difluoro-5-methylhexan-2-amine.
What is the SMILES notation for 1,1-difluoro-5-methylhexan-2-amine?
The canonical SMILES for 1,1-difluoro-5-methylhexan-2-amine is CC(C)CCC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-5-methylhexan-2-amine?
The InChIKey is ZNJJSMVXEGXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-5(2)3-4-6(10)7(8)9/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 1,1-difluoro-5-methylhexan-2-amine?
1,1-difluoro-5-methylhexan-2-amine has a molecular weight of 151.20 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methylhexan-2-amine is sourced from PubChem (CID 103759774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).