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

C9H14F3N — CID 168920648

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

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

ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine (PubChem CID 168920648) 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-3-methylpenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine
PubChem CID168920648
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Nameethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine
SMILESC=C/C(C)=C(\N=C)C(F)(F)F.CC
InChIInChI=1S/C7H8F3N.C2H6/c1-4-5(2)6(11-3)7(8,9)10;1-2/h4H,1,3H2,2H3;1-2H3/b6-5-;
InChIKeyNYFRQQBPHRXCML-YSMBQZINSA-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-[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-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]methanimine
CID 134441063
N-[(2Z,4E)-3-(2-fluoroethyl)hexa-2,4-dien-2-yl]methanimine
CID 137467845
N-[(3E)-2-methyl-4-(trifluoromethyl)hexa-3,5-dien-3-yl]methanimine
CID 142387946
N-[(2E)-3-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 142975743
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143420707
N-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dien-2-yl]methanimine
CID 143599195
N-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-3-yl]methanimine
CID 144145337
ethane;N-[(2Z)-3-ethyl-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 144191958
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine?
The IUPAC name of ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine (CID 168920648) is ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine is C=C/C(C)=C(\N=C)C(F)(F)F.CC.
What is the InChIKey of ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine?
The InChIKey is NYFRQQBPHRXCML-YSMBQZINSA-N. The full InChI is InChI=1S/C7H8F3N.C2H6/c1-4-5(2)6(11-3)7(8,9)10;1-2/h4H,1,3H2,2H3;1-2H3/b6-5-;.
What are the key properties of ethane;N-[(2Z)-1,1,1-trifluoro-3-methylpenta-2,4-dien-2-yl]methanimine?
ethane;N-[(2Z)-1,1,1-trifluoro-3-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-3-methylpenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 168920648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).