1,1-difluoro-4-methylpentan-3-amine

C6H13F2N — CID 20766222

IUPAC1,1-difluoro-4-methylpentan-3-amine
SMILESCC(C)C(N)CC(F)F
InChIInChI=1S/C6H13F2N/c1-4(2)5(9)3-6(7)8/h4-6H,3,9H2,1-2H3
InChIKeyLXDPYVYJAXIDCW-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.62
Rot. Bonds3

About 1,1-difluoro-4-methylpentan-3-amine

1,1-difluoro-4-methylpentan-3-amine (PubChem CID 20766222) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is 1,1-difluoro-4-methylpentan-3-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methylpentan-3-amine
PubChem CID20766222
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC Name1,1-difluoro-4-methylpentan-3-amine
SMILESCC(C)C(N)CC(F)F
InChIInChI=1S/C6H13F2N/c1-4(2)5(9)3-6(7)8/h4-6H,3,9H2,1-2H3
InChIKeyLXDPYVYJAXIDCW-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylpentan-3-amine?
The IUPAC name of 1,1-difluoro-4-methylpentan-3-amine (CID 20766222) is 1,1-difluoro-4-methylpentan-3-amine.
What is the SMILES notation for 1,1-difluoro-4-methylpentan-3-amine?
The canonical SMILES for 1,1-difluoro-4-methylpentan-3-amine is CC(C)C(N)CC(F)F.
What is the InChIKey of 1,1-difluoro-4-methylpentan-3-amine?
The InChIKey is LXDPYVYJAXIDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N/c1-4(2)5(9)3-6(7)8/h4-6H,3,9H2,1-2H3.
What are the key properties of 1,1-difluoro-4-methylpentan-3-amine?
1,1-difluoro-4-methylpentan-3-amine has a molecular weight of 137.17 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylpentan-3-amine is sourced from PubChem (CID 20766222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).