3,4,4-trifluorobut-3-en-2-imine

C4H4F3N — CID 58488810

IUPAC3,4,4-trifluorobut-3-en-2-imine
SMILES[H]/N=C(\C)C(F)=C(F)F
InChIInChI=1S/C4H4F3N/c1-2(8)3(5)4(6)7/h8H,1H3/b8-2+
InChIKeyDCDYGTYUDLHAOQ-KRXBUXKQSA-N
MW123.08 g/mol
LogP2.10
Rot. Bonds1

About 3,4,4-trifluorobut-3-en-2-imine

3,4,4-trifluorobut-3-en-2-imine (PubChem CID 58488810) has the molecular formula C4H4F3N and a molecular weight of 123.08 g/mol. Its IUPAC name is 3,4,4-trifluorobut-3-en-2-imine.

Molecular Properties

Compound Name3,4,4-trifluorobut-3-en-2-imine
PubChem CID58488810
Molecular FormulaC4H4F3N
Molecular Weight123.08 g/mol
Exact Mass123.03
IUPAC Name3,4,4-trifluorobut-3-en-2-imine
SMILES[H]/N=C(\C)C(F)=C(F)F
InChIInChI=1S/C4H4F3N/c1-2(8)3(5)4(6)7/h8H,1H3/b8-2+
InChIKeyDCDYGTYUDLHAOQ-KRXBUXKQSA-N
XLogP2.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.08
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4,4-trifluorobut-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;ethanimidoyl fluoride;hydride
CID 174794498
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
2-iminopropanimidamide
CID 174066114
3-iminobutan-2-one;hydrochloride
CID 91594122
1,1,2,3,4-pentafluoropenta-1,3-diene
CID 72580836
1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
CID 138494852
3-N-methylbutane-2,3-diimine
CID 58796730
(Z)-4-iminopent-2-en-3-amine
CID 147180053
2,3-diiminobutan-1-amine
CID 123340860
(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride
CID 138494785
ethane;(NZ)-N-(3-iminobutan-2-ylidene)thiohydroxylamine
CID 176658688

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluorobut-3-en-2-imine?
The IUPAC name of 3,4,4-trifluorobut-3-en-2-imine (CID 58488810) is 3,4,4-trifluorobut-3-en-2-imine.
What is the SMILES notation for 3,4,4-trifluorobut-3-en-2-imine?
The canonical SMILES for 3,4,4-trifluorobut-3-en-2-imine is [H]/N=C(\C)C(F)=C(F)F.
What is the InChIKey of 3,4,4-trifluorobut-3-en-2-imine?
The InChIKey is DCDYGTYUDLHAOQ-KRXBUXKQSA-N. The full InChI is InChI=1S/C4H4F3N/c1-2(8)3(5)4(6)7/h8H,1H3/b8-2+.
What are the key properties of 3,4,4-trifluorobut-3-en-2-imine?
3,4,4-trifluorobut-3-en-2-imine has a molecular weight of 123.08 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluorobut-3-en-2-imine is sourced from PubChem (CID 58488810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).