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

C9H14F3N — CID 144514660

IUPACethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C\C(=C)C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-5(2)4-6(11-3)7(8,9)10;1-2/h4H,1,3H2,2H3;1-2H3/b6-4-;
InChIKeyNWGSXYAEDFWZDB-YHSAGPEESA-N
MW193.21 g/mol
LogP3.74
Rot. Bonds2

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

ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine (PubChem CID 144514660) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
PubChem CID144514660
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Nameethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(=C\C(=C)C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-5(2)4-6(11-3)7(8,9)10;1-2/h4H,1,3H2,2H3;1-2H3/b6-4-;
InChIKeyNWGSXYAEDFWZDB-YHSAGPEESA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(1,1,1-trifluoropent-2-en-2-yl)methanimine
CID 91449965
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
CID 129041662
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(3E,5E)-4,6-difluoro-2-methylhepta-3,5-dien-3-yl]methanimine
CID 130218533
N-[(2Z,4E,6E)-6-fluoro-3-methyl-4-prop-1-en-2-ylocta-2,4,6-trien-2-yl]methanimine
CID 134298486
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
The IUPAC name of ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine (CID 144514660) is ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine is C=N/C(=C\C(=C)C)C(F)(F)F.CC.
What is the InChIKey of ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
The InChIKey is NWGSXYAEDFWZDB-YHSAGPEESA-N. The full InChI is InChI=1S/C7H8F3N.C2H6/c1-5(2)4-6(11-3)7(8,9)10;1-2/h4H,1,3H2,2H3;1-2H3/b6-4-;.
What are the key properties of ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine?
ethane;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine 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;N-[(2Z)-1,1,1-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 144514660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).