4,4-Difluoro-3-methyliminobut-1-en-1-amine

C5H8F2N2 — CID 173976808

IUPAC4,4-difluoro-3-methyliminobut-1-en-1-amine
SMILESCN=C(C=CN)C(F)F
InChIInChI=1S/C5H8F2N2/c1-9-4(2-3-8)5(6)7/h2-3,5H,8H2,1H3
InChIKeyKKTILPRZBKUCEC-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.50
Rot. Bonds2

About 4,4-Difluoro-3-methyliminobut-1-en-1-amine

4,4-Difluoro-3-methyliminobut-1-en-1-amine (PubChem CID 173976808) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 4,4-difluoro-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name4,4-Difluoro-3-methyliminobut-1-en-1-amine
PubChem CID173976808
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name4,4-difluoro-3-methyliminobut-1-en-1-amine
SMILESCN=C(C=CN)C(F)F
InChIInChI=1S/C5H8F2N2/c1-9-4(2-3-8)5(6)7/h2-3,5H,8H2,1H3
InChIKeyKKTILPRZBKUCEC-UHFFFAOYSA-N
XLogP0.50
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity129

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-Difluoro-3-methyliminobut-1-en-1-amine?
The IUPAC name of 4,4-Difluoro-3-methyliminobut-1-en-1-amine (CID 173976808) is 4,4-difluoro-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for 4,4-Difluoro-3-methyliminobut-1-en-1-amine?
The canonical SMILES for 4,4-Difluoro-3-methyliminobut-1-en-1-amine is CN=C(C=CN)C(F)F.
What is the InChIKey of 4,4-Difluoro-3-methyliminobut-1-en-1-amine?
The InChIKey is KKTILPRZBKUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-9-4(2-3-8)5(6)7/h2-3,5H,8H2,1H3.
What are the key properties of 4,4-Difluoro-3-methyliminobut-1-en-1-amine?
4,4-Difluoro-3-methyliminobut-1-en-1-amine has a molecular weight of 134.13 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-Difluoro-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 173976808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).