propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine

C13H22F3N — CID 153342667

IUPACpropane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
SMILESC=C(C)/N=C(/C=C(\C)CC)C(F)(F)F.CCC
InChIInChI=1S/C10H14F3N.C3H8/c1-5-8(4)6-9(10(11,12)13)14-7(2)3;1-3-2/h6H,2,5H2,1,3-4H3;3H2,1-2H3/b8-6+,14-9-;
InChIKeySPQOEJHUTQNNMQ-KZAPFTCMSA-N
MW249.32 g/mol
LogP5.30
Rot. Bonds3

About propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine

propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine (PubChem CID 153342667) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine.

Molecular Properties

Compound Namepropane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
PubChem CID153342667
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Namepropane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
SMILESC=C(C)/N=C(/C=C(\C)CC)C(F)(F)F.CCC
InChIInChI=1S/C10H14F3N.C3H8/c1-5-8(4)6-9(10(11,12)13)14-7(2)3;1-3-2/h6H,2,5H2,1,3-4H3;3H2,1-2H3/b8-6+,14-9-;
InChIKeySPQOEJHUTQNNMQ-KZAPFTCMSA-N
XLogP5.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.32
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine with MolForge

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Related Compounds

5,7-Dimethyl-2-trifluoromethyl-4H-azepine
CID 14610094
3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
CID 123203347
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
CID 123927403
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972

Frequently Asked Questions

What is the IUPAC name of propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The IUPAC name of propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine (CID 153342667) is propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine.
What is the SMILES notation for propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The canonical SMILES for propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine is C=C(C)/N=C(/C=C(\C)CC)C(F)(F)F.CCC.
What is the InChIKey of propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
The InChIKey is SPQOEJHUTQNNMQ-KZAPFTCMSA-N. The full InChI is InChI=1S/C10H14F3N.C3H8/c1-5-8(4)6-9(10(11,12)13)14-7(2)3;1-3-2/h6H,2,5H2,1,3-4H3;3H2,1-2H3/b8-6+,14-9-;.
What are the key properties of propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine?
propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine has a molecular weight of 249.32 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine is sourced from PubChem (CID 153342667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).