(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine

C8H10F3N — CID 142927437

IUPAC(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC=C/N=C(C)/C(=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-7(8(9,10)11)6(3)12-5-2/h4-5H,2H2,1,3H3/b7-4+,12-6+
InChIKeyKCYPRWLBCUXYCI-HRLWBZPXSA-N
MW177.17 g/mol
LogP3.10
Rot. Bonds2

About (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine

(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine (PubChem CID 142927437) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
PubChem CID142927437
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
SMILESC=C/N=C(C)/C(=C\C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-7(8(9,10)11)6(3)12-5-2/h4-5H,2H2,1,3H3/b7-4+,12-6+
InChIKeyKCYPRWLBCUXYCI-HRLWBZPXSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 53.10
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-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
(Z)-4-ethenylimino-2-methyl-3-(trifluoromethyl)pent-2-enenitrile
CID 132234329
(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 135292598
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
N-ethenyl-3-(trifluoromethyl)but-3-en-2-imine
CID 144251791
ethane;N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349641

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine?
The IUPAC name of (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine (CID 142927437) is (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine.
What is the SMILES notation for (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine?
The canonical SMILES for (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine is C=C/N=C(C)/C(=C\C)C(F)(F)F.
What is the InChIKey of (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine?
The InChIKey is KCYPRWLBCUXYCI-HRLWBZPXSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-7(8(9,10)11)6(3)12-5-2/h4-5H,2H2,1,3H3/b7-4+,12-6+.
What are the key properties of (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine?
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine has a molecular weight of 177.17 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine is sourced from PubChem (CID 142927437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).