1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine

C7H8F3N — CID 145149507

IUPAC1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
SMILESC=C/C(=N\C=C/C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5-11-6(4-2)7(8,9)10/h3-5H,2H2,1H3/b5-3-,11-6+
InChIKeyOXGZJWWMWYZFEW-GGKXIICKSA-N
MW163.14 g/mol
LogP2.71
Rot. Bonds2

About 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine

1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine (PubChem CID 145149507) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
PubChem CID145149507
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
SMILESC=C/C(=N\C=C/C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-5-11-6(4-2)7(8,9)10/h3-5H,2H2,1H3/b5-3-,11-6+
InChIKeyOXGZJWWMWYZFEW-GGKXIICKSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-hexafluoro-N-[(E)-3-methylbut-1-enyl]propan-2-imine
CID 134891435
(Z)-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
CID 88890689
1,1,1-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
N-[(E)-2-fluoroprop-1-enyl]but-3-en-2-imine
CID 89864903
N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
CID 118668915
2-(trifluoromethyl)-3H-pyrrole
CID 125357438
2-(difluoromethyl)-3H-pyrrole
CID 125363223
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
2-[(Z)-4,4-difluorobut-1-enyl]iminobut-3-en-1-amine
CID 132157969
N-ethenyl-1,1,1-trifluorobut-3-en-2-imine
CID 134549609
N-ethenyl-6,6,6-trifluorohex-1-en-3-imine
CID 134549610
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine (CID 145149507) is 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine is C=C/C(=N\C=C/C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
The InChIKey is OXGZJWWMWYZFEW-GGKXIICKSA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-5-11-6(4-2)7(8,9)10/h3-5H,2H2,1H3/b5-3-,11-6+.
What are the key properties of 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine has a molecular weight of 163.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine is sourced from PubChem (CID 145149507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).