ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine

C7H12F3N — CID 145136429

IUPACethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine
SMILESC=C/C(=N\C)C(F)(F)F.CC
InChIInChI=1S/C5H6F3N.C2H6/c1-3-4(9-2)5(6,7)8;1-2/h3H,1H2,2H3;1-2H3/b9-4+;
InChIKeyGCIMCVUMIRSAOI-JOKMOOFLSA-N
MW167.17 g/mol
LogP2.83
Rot. Bonds1

About ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine

ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine (PubChem CID 145136429) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine
PubChem CID145136429
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Nameethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine
SMILESC=C/C(=N\C)C(F)(F)F.CC
InChIInChI=1S/C5H6F3N.C2H6/c1-3-4(9-2)5(6,7)8;1-2/h3H,1H2,2H3;1-2H3/b9-4+;
InChIKeyGCIMCVUMIRSAOI-JOKMOOFLSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.83
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-methylbut-3-en-2-imine
CID 88934320
1,1-difluoro-N-methylbut-3-en-2-imine
CID 89684270
1,1-difluoro-N-methylhepta-4,5-dien-2-imine
CID 118475059
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
3-fluoro-N-methylbut-3-en-2-imine
CID 123187857
(Z)-1,1,1-trifluoro-N-(propan-2-ylideneamino)but-3-en-2-imine
CID 123258309
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
3,3-difluoro-N-methylhex-5-en-2-imine
CID 123616438
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 142439237
ethene;(Z)-6,6,6-trifluoro-N-methylhex-3-en-2-imine
CID 143349967
1,1,1-trifluoro-N-prop-1-en-2-ylbut-3-en-2-imine
CID 143548563

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine?
The IUPAC name of ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine (CID 145136429) is ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine.
What is the SMILES notation for ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine?
The canonical SMILES for ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine is C=C/C(=N\C)C(F)(F)F.CC.
What is the InChIKey of ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine?
The InChIKey is GCIMCVUMIRSAOI-JOKMOOFLSA-N. The full InChI is InChI=1S/C5H6F3N.C2H6/c1-3-4(9-2)5(6,7)8;1-2/h3H,1H2,2H3;1-2H3/b9-4+;.
What are the key properties of ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine?
ethane;1,1,1-trifluoro-N-methylbut-3-en-2-imine has a molecular weight of 167.17 g/mol, XLogP of 2.83, 1 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-methylbut-3-en-2-imine is sourced from PubChem (CID 145136429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).