3,3,4,4,4-pentafluorobutan-1-amine

C4H6F5N — CID 15754740

IUPAC3,3,4,4,4-pentafluorobutan-1-amine
SMILESNCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5N/c5-3(6,1-2-10)4(7,8)9/h1-2,10H2
InChIKeyQPURPAZMWFFRHE-UHFFFAOYSA-N
MW163.09 g/mol
LogP1.53
Rot. Bonds2

About 3,3,4,4,4-pentafluorobutan-1-amine

3,3,4,4,4-pentafluorobutan-1-amine (PubChem CID 15754740) has the molecular formula C4H6F5N and a molecular weight of 163.09 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluorobutan-1-amine.

Molecular Properties

Compound Name3,3,4,4,4-pentafluorobutan-1-amine
PubChem CID15754740
Molecular FormulaC4H6F5N
Molecular Weight163.09 g/mol
Exact Mass163.04
IUPAC Name3,3,4,4,4-pentafluorobutan-1-amine
SMILESNCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5N/c5-3(6,1-2-10)4(7,8)9/h1-2,10H2
InChIKeyQPURPAZMWFFRHE-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.09
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluorobutan-1-amine?
The IUPAC name of 3,3,4,4,4-pentafluorobutan-1-amine (CID 15754740) is 3,3,4,4,4-pentafluorobutan-1-amine.
What is the SMILES notation for 3,3,4,4,4-pentafluorobutan-1-amine?
The canonical SMILES for 3,3,4,4,4-pentafluorobutan-1-amine is NCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluorobutan-1-amine?
The InChIKey is QPURPAZMWFFRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5N/c5-3(6,1-2-10)4(7,8)9/h1-2,10H2.
What are the key properties of 3,3,4,4,4-pentafluorobutan-1-amine?
3,3,4,4,4-pentafluorobutan-1-amine has a molecular weight of 163.09 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluorobutan-1-amine is sourced from PubChem (CID 15754740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).