4,4-difluorobut-3-en-1-amine

C4H7F2N — CID 15239181

IUPAC4,4-difluorobut-3-en-1-amine
SMILESNCCC=C(F)F
InChIInChI=1S/C4H7F2N/c5-4(6)2-1-3-7/h2H,1,3,7H2
InChIKeyLRWMZMQXLKUXAD-UHFFFAOYSA-N
MW107.10 g/mol
LogP1.12
Rot. Bonds2

About 4,4-difluorobut-3-en-1-amine

4,4-difluorobut-3-en-1-amine (PubChem CID 15239181) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 4,4-difluorobut-3-en-1-amine.

Molecular Properties

Compound Name4,4-difluorobut-3-en-1-amine
PubChem CID15239181
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name4,4-difluorobut-3-en-1-amine
SMILESNCCC=C(F)F
InChIInChI=1S/C4H7F2N/c5-4(6)2-1-3-7/h2H,1,3,7H2
InChIKeyLRWMZMQXLKUXAD-UHFFFAOYSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorobut-3-en-1-amine?
The IUPAC name of 4,4-difluorobut-3-en-1-amine (CID 15239181) is 4,4-difluorobut-3-en-1-amine.
What is the SMILES notation for 4,4-difluorobut-3-en-1-amine?
The canonical SMILES for 4,4-difluorobut-3-en-1-amine is NCCC=C(F)F.
What is the InChIKey of 4,4-difluorobut-3-en-1-amine?
The InChIKey is LRWMZMQXLKUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c5-4(6)2-1-3-7/h2H,1,3,7H2.
What are the key properties of 4,4-difluorobut-3-en-1-amine?
4,4-difluorobut-3-en-1-amine has a molecular weight of 107.10 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorobut-3-en-1-amine is sourced from PubChem (CID 15239181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).