5,5-difluoropentan-1-amine

C5H11F2N — CID 14407044

IUPAC5,5-difluoropentan-1-amine
SMILESNCCCCC(F)F
InChIInChI=1S/C5H11F2N/c6-5(7)3-1-2-4-8/h5H,1-4,8H2
InChIKeyPZURDJRXXCQKLZ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.38
Rot. Bonds4

About 5,5-difluoropentan-1-amine

5,5-difluoropentan-1-amine (PubChem CID 14407044) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is 5,5-difluoropentan-1-amine.

Molecular Properties

Compound Name5,5-difluoropentan-1-amine
PubChem CID14407044
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name5,5-difluoropentan-1-amine
SMILESNCCCCC(F)F
InChIInChI=1S/C5H11F2N/c6-5(7)3-1-2-4-8/h5H,1-4,8H2
InChIKeyPZURDJRXXCQKLZ-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropentan-1-amine?
The IUPAC name of 5,5-difluoropentan-1-amine (CID 14407044) is 5,5-difluoropentan-1-amine.
What is the SMILES notation for 5,5-difluoropentan-1-amine?
The canonical SMILES for 5,5-difluoropentan-1-amine is NCCCCC(F)F.
What is the InChIKey of 5,5-difluoropentan-1-amine?
The InChIKey is PZURDJRXXCQKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c6-5(7)3-1-2-4-8/h5H,1-4,8H2.
What are the key properties of 5,5-difluoropentan-1-amine?
5,5-difluoropentan-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropentan-1-amine is sourced from PubChem (CID 14407044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).