(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine

C11H16F3N — CID 143285811

IUPAC(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine
SMILES[H]/N=C(\C=C(\CC=C)CCCC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-3-5-7-9(6-4-2)8-10(15)11(12,13)14/h4,8,15H,2-3,5-7H2,1H3/b9-8-,15-10+
InChIKeyIZARMQPJSMOVEK-ABRUBGJPSA-N
MW219.25 g/mol
LogP4.26
Rot. Bonds6

About (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine

(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine (PubChem CID 143285811) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine
PubChem CID143285811
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine
SMILES[H]/N=C(\C=C(\CC=C)CCCC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-3-5-7-9(6-4-2)8-10(15)11(12,13)14/h4,8,15H,2-3,5-7H2,1H3/b9-8-,15-10+
InChIKeyIZARMQPJSMOVEK-ABRUBGJPSA-N
XLogP4.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 123335440
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
(Z)-2,2-difluoro-7-methylidenedec-5-en-4-imine
CID 143588764
(E)-4-(difluoromethyl)hex-4-en-3-imine
CID 145086064
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(4Z)-11,11-difluoro-2,12-dimethyltrideca-4,12-dien-3-imine
CID 156235984
(Z,3E)-3-but-3-enylidene-1,1-difluorooct-4-en-2-imine
CID 166811924
(3E,5Z,7E)-1,1-difluoro-3-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-2-imine
CID 166817890
(5Z)-1,1,1,2,2-pentafluoro-7-methylocta-5,7-dien-4-imine
CID 166925117
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
CID 143814371
(3E,4Z,8E)-7,7-difluoro-6-methylidene-3-(2-methylprop-2-enylidene)deca-4,8-dien-2-imine
CID 162574990

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine?
The IUPAC name of (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine (CID 143285811) is (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine?
The canonical SMILES for (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine is [H]/N=C(\C=C(\CC=C)CCCC)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine?
The InChIKey is IZARMQPJSMOVEK-ABRUBGJPSA-N. The full InChI is InChI=1S/C11H16F3N/c1-3-5-7-9(6-4-2)8-10(15)11(12,13)14/h4,8,15H,2-3,5-7H2,1H3/b9-8-,15-10+.
What are the key properties of (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine?
(E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine has a molecular weight of 219.25 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-4-prop-2-enyloct-3-en-2-imine is sourced from PubChem (CID 143285811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).