2,2-difluoro-4,4-dimethylpentan-3-amine

C7H15F2N — CID 84649526

IUPAC2,2-difluoro-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)C(C)(F)F
InChIInChI=1S/C7H15F2N/c1-6(2,3)5(10)7(4,8)9/h5H,10H2,1-4H3
InChIKeyNPVVSRQRPPLJKO-UHFFFAOYSA-N
MW151.20 g/mol
LogP2.02
Rot. Bonds1

About 2,2-difluoro-4,4-dimethylpentan-3-amine

2,2-difluoro-4,4-dimethylpentan-3-amine (PubChem CID 84649526) has the molecular formula C7H15F2N and a molecular weight of 151.20 g/mol. Its IUPAC name is 2,2-difluoro-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name2,2-difluoro-4,4-dimethylpentan-3-amine
PubChem CID84649526
Molecular FormulaC7H15F2N
Molecular Weight151.20 g/mol
Exact Mass151.12
IUPAC Name2,2-difluoro-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)C(C)(F)F
InChIInChI=1S/C7H15F2N/c1-6(2,3)5(10)7(4,8)9/h5H,10H2,1-4H3
InChIKeyNPVVSRQRPPLJKO-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,4-dimethylpentan-3-amine?
The IUPAC name of 2,2-difluoro-4,4-dimethylpentan-3-amine (CID 84649526) is 2,2-difluoro-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 2,2-difluoro-4,4-dimethylpentan-3-amine?
The canonical SMILES for 2,2-difluoro-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-4,4-dimethylpentan-3-amine?
The InChIKey is NPVVSRQRPPLJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N/c1-6(2,3)5(10)7(4,8)9/h5H,10H2,1-4H3.
What are the key properties of 2,2-difluoro-4,4-dimethylpentan-3-amine?
2,2-difluoro-4,4-dimethylpentan-3-amine has a molecular weight of 151.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 84649526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).