1,1-difluoropentan-3-amine

C5H11F2N — CID 62581791

IUPAC1,1-difluoropentan-3-amine
SMILESCCC(N)CC(F)F
InChIInChI=1S/C5H11F2N/c1-2-4(8)3-5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyXQBMFUXXZPZHGT-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.38
Rot. Bonds3

About 1,1-difluoropentan-3-amine

1,1-difluoropentan-3-amine (PubChem CID 62581791) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is 1,1-difluoropentan-3-amine.

Molecular Properties

Compound Name1,1-difluoropentan-3-amine
PubChem CID62581791
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name1,1-difluoropentan-3-amine
SMILESCCC(N)CC(F)F
InChIInChI=1S/C5H11F2N/c1-2-4(8)3-5(6)7/h4-5H,2-3,8H2,1H3
InChIKeyXQBMFUXXZPZHGT-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropentan-3-amine?
The IUPAC name of 1,1-difluoropentan-3-amine (CID 62581791) is 1,1-difluoropentan-3-amine.
What is the SMILES notation for 1,1-difluoropentan-3-amine?
The canonical SMILES for 1,1-difluoropentan-3-amine is CCC(N)CC(F)F.
What is the InChIKey of 1,1-difluoropentan-3-amine?
The InChIKey is XQBMFUXXZPZHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-2-4(8)3-5(6)7/h4-5H,2-3,8H2,1H3.
What are the key properties of 1,1-difluoropentan-3-amine?
1,1-difluoropentan-3-amine has a molecular weight of 123.15 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropentan-3-amine is sourced from PubChem (CID 62581791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).