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

C7H15F2N — CID 131163407

IUPAC1,1-difluoro-2-methylhexan-2-amine
SMILESCCCCC(C)(N)C(F)F
InChIInChI=1S/C7H15F2N/c1-3-4-5-7(2,10)6(8)9/h6H,3-5,10H2,1-2H3
InChIKeyVRILJQRAZKGUNY-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.16
Rot. Bonds4

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

1,1-difluoro-2-methylhexan-2-amine (PubChem CID 131163407) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is 1,1-difluoro-2-methylhexan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methylhexan-2-amine
PubChem CID131163407
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC Name1,1-difluoro-2-methylhexan-2-amine
SMILESCCCCC(C)(N)C(F)F
InChIInChI=1S/C7H15F2N/c1-3-4-5-7(2,10)6(8)9/h6H,3-5,10H2,1-2H3
InChIKeyVRILJQRAZKGUNY-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159841481
5-chlorononan-5-amine
CID 88596915
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CID 20725275
2-amino-2-butylhexane-1,1-diol
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N-(3-amino-4,4-difluoro-3-methylbutyl)propane-1-sulfonamide
CID 165444505
5-ethylnonan-5-amine;hydrochloride
CID 174766496
11,12-dimethylheptacosan-11-amine
CID 174255229
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556
(4S)-3-ethyl-4-methyl-1-propoxyoctan-4-amine
CID 129107357
2,3-dimethylbutane-2,3-diamine;hexane
CID 88683031
2,2-dimethylhexane
CID 169424592
5-(2-methylpropyl)nonan-5-amine
CID 88761377

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylhexan-2-amine?
The IUPAC name of 1,1-difluoro-2-methylhexan-2-amine (CID 131163407) is 1,1-difluoro-2-methylhexan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-methylhexan-2-amine?
The canonical SMILES for 1,1-difluoro-2-methylhexan-2-amine is CCCCC(C)(N)C(F)F.
What is the InChIKey of 1,1-difluoro-2-methylhexan-2-amine?
The InChIKey is VRILJQRAZKGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-3-4-5-7(2,10)6(8)9/h6H,3-5,10H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methylhexan-2-amine?
1,1-difluoro-2-methylhexan-2-amine has a molecular weight of 151.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylhexan-2-amine is sourced from PubChem (CID 131163407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).