ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine

C9H14F3N — CID 156737282

IUPACethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C(/F)C(=C)C)C(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-4(2)5(8)6(11-3)7(9)10;1-2/h7H,1,3H2,2H3;1-2H3/b6-5+;
InChIKeyBIMQLQHJEGZFCC-IPZCTEOASA-N
MW193.21 g/mol
LogP3.74
Rot. Bonds3

About ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine

ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine (PubChem CID 156737282) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
PubChem CID156737282
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Nameethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C(/F)C(=C)C)C(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-4(2)5(8)6(11-3)7(9)10;1-2/h7H,1,3H2,2H3;1-2H3/b6-5+;
InChIKeyBIMQLQHJEGZFCC-IPZCTEOASA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
(E)-2-bromo-4,4-difluoro-3-(methylideneamino)but-2-enamide
CID 130280581
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(3E)-4-bromo-2-(difluoromethyl)penta-1,3-diene
CID 118401640
ethane;tris(2-methylprop-1-ene)
CID 144520420
ethane;(3E)-5-methylhexa-1,3,5-triene-2,4-diol
CID 143687304
(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene
CID 144827256
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine
CID 118063031
(2E,4Z)-4-chloro-5-fluoro-N,2-dimethyl-3-prop-1-en-2-ylhepta-2,4,6-trien-1-imine;ethane
CID 176951443
2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
The IUPAC name of ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine (CID 156737282) is ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine is C=N/C(=C(/F)C(=C)C)C(F)F.CC.
What is the InChIKey of ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
The InChIKey is BIMQLQHJEGZFCC-IPZCTEOASA-N. The full InChI is InChI=1S/C7H8F3N.C2H6/c1-4(2)5(8)6(11-3)7(9)10;1-2/h7H,1,3H2,2H3;1-2H3/b6-5+;.
What are the key properties of ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine has a molecular weight of 193.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 156737282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).