3,4-difluorobut-2-en-1-amine

C4H7F2N — CID 173179584

IUPAC3,4-difluorobut-2-en-1-amine
SMILESNCC=C(F)CF
InChIInChI=1S/C4H7F2N/c5-3-4(6)1-2-7/h1H,2-3,7H2
InChIKeyBSUNDFFMFRLGOV-UHFFFAOYSA-N
MW107.10 g/mol
LogP0.77
Rot. Bonds2

About 3,4-difluorobut-2-en-1-amine

3,4-difluorobut-2-en-1-amine (PubChem CID 173179584) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 3,4-difluorobut-2-en-1-amine.

Molecular Properties

Compound Name3,4-difluorobut-2-en-1-amine
PubChem CID173179584
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name3,4-difluorobut-2-en-1-amine
SMILESNCC=C(F)CF
InChIInChI=1S/C4H7F2N/c5-3-4(6)1-2-7/h1H,2-3,7H2
InChIKeyBSUNDFFMFRLGOV-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluorobut-2-en-1-amine?
The IUPAC name of 3,4-difluorobut-2-en-1-amine (CID 173179584) is 3,4-difluorobut-2-en-1-amine.
What is the SMILES notation for 3,4-difluorobut-2-en-1-amine?
The canonical SMILES for 3,4-difluorobut-2-en-1-amine is NCC=C(F)CF.
What is the InChIKey of 3,4-difluorobut-2-en-1-amine?
The InChIKey is BSUNDFFMFRLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c5-3-4(6)1-2-7/h1H,2-3,7H2.
What are the key properties of 3,4-difluorobut-2-en-1-amine?
3,4-difluorobut-2-en-1-amine has a molecular weight of 107.10 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorobut-2-en-1-amine is sourced from PubChem (CID 173179584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).