2,2-difluoroheptan-3-amine

C7H15F2N — CID 130605107

IUPAC2,2-difluoroheptan-3-amine
SMILESCCCCC(N)C(C)(F)F
InChIInChI=1S/C7H15F2N/c1-3-4-5-6(10)7(2,8)9/h6H,3-5,10H2,1-2H3
InChIKeySPYRPFURXFHUAT-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.16
Rot. Bonds4

About 2,2-difluoroheptan-3-amine

2,2-difluoroheptan-3-amine (PubChem CID 130605107) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is 2,2-difluoroheptan-3-amine.

Molecular Properties

Compound Name2,2-difluoroheptan-3-amine
PubChem CID130605107
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC Name2,2-difluoroheptan-3-amine
SMILESCCCCC(N)C(C)(F)F
InChIInChI=1S/C7H15F2N/c1-3-4-5-6(10)7(2,8)9/h6H,3-5,10H2,1-2H3
InChIKeySPYRPFURXFHUAT-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

1,1,1-trifluorohexan-2-amine
CID 50998628
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
4,4-dimethylnonan-5-amine
CID 87513740
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
1,2-diaminohexane-1,1-diol
CID 19776231
2,2-dimethyldodecan-3-amine
CID 43370499
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2-methyldecane-2,3-diamine
CID 87934186
1-cyclopropyl-2,2-dimethylheptan-3-amine
CID 134293473
3-methoxy-3-methyltetradecan-4-amine
CID 116757437

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroheptan-3-amine?
The IUPAC name of 2,2-difluoroheptan-3-amine (CID 130605107) is 2,2-difluoroheptan-3-amine.
What is the SMILES notation for 2,2-difluoroheptan-3-amine?
The canonical SMILES for 2,2-difluoroheptan-3-amine is CCCCC(N)C(C)(F)F.
What is the InChIKey of 2,2-difluoroheptan-3-amine?
The InChIKey is SPYRPFURXFHUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-3-4-5-6(10)7(2,8)9/h6H,3-5,10H2,1-2H3.
What are the key properties of 2,2-difluoroheptan-3-amine?
2,2-difluoroheptan-3-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 2,2-difluoroheptan-3-amine is sourced from PubChem (CID 130605107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).