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

C9H14F3N — CID 145149506

IUPACethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
SMILESC=C/C(=N\C=C/C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-3-5-11-6(4-2)7(8,9)10;1-2/h3-5H,2H2,1H3;1-2H3/b5-3-,11-6+;
InChIKeyHLFOVZBDYFOJCQ-GHFGPCLASA-N
MW193.21 g/mol
LogP3.74
Rot. Bonds2

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

ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine (PubChem CID 145149506) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
PubChem CID145149506
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Nameethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
SMILESC=C/C(=N\C=C/C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-3-5-11-6(4-2)7(8,9)10;1-2/h3-5H,2H2,1H3;1-2H3/b5-3-,11-6+;
InChIKeyHLFOVZBDYFOJCQ-GHFGPCLASA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.74
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

3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
1,1,1-trifluorobut-3-en-2-ylidenehydrazine
CID 118457579
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 155705669
ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
CID 170724337
(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
CID 91527004
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 145136554
2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 156522568
ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
CID 145372548
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
1-[[2-amino-4-[[(Z)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-2-enyl]amino]-3H-pyridin-6-ylidene]amino]-2-methylpropane-2-thiol
CID 146586086

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
The IUPAC name of ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine (CID 145149506) is ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine.
What is the SMILES notation for ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
The InChIKey is HLFOVZBDYFOJCQ-GHFGPCLASA-N. The full InChI is InChI=1S/C7H8F3N.C2H6/c1-3-5-11-6(4-2)7(8,9)10;1-2/h3-5H,2H2,1H3;1-2H3/b5-3-,11-6+;.
What are the key properties of ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine?
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine has a molecular weight of 193.21 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine is sourced from PubChem (CID 145149506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).