ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine

C14H28F3N — CID 143347082

IUPACethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine
SMILESC=C.CC.CC/C=C\C(=N/C)C(F)(F)F.CCC
InChIInChI=1S/C7H10F3N.C3H8.C2H6.C2H4/c1-3-4-5-6(11-2)7(8,9)10;1-3-2;2*1-2/h4-5H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H2/b5-4-,11-6+;;;
InChIKeyLEFDXBIFKBOJGT-XAJJEWNZSA-N
MW267.38 g/mol
LogP5.83
Rot. Bonds2

About ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine

ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine (PubChem CID 143347082) has the molecular formula C14H28F3N and a molecular weight of 267.38 g/mol. Its IUPAC name is ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Nameethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine
PubChem CID143347082
Molecular FormulaC14H28F3N
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC Nameethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine
SMILESC=C.CC.CC/C=C\C(=N/C)C(F)(F)F.CCC
InChIInChI=1S/C7H10F3N.C3H8.C2H6.C2H4/c1-3-4-5-6(11-2)7(8,9)10;1-3-2;2*1-2/h4-5H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H2/b5-4-,11-6+;;;
InChIKeyLEFDXBIFKBOJGT-XAJJEWNZSA-N
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.38
LogP ≤ 55.83
H-Bond Donors ≤ 50
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

3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-5-N-ethyl-1,1,1-trifluorohex-3-ene-2,5-diimine
CID 91208998
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
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
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
CID 123203347
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine?
The IUPAC name of ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine (CID 143347082) is ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine.
What is the SMILES notation for ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine?
The canonical SMILES for ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine is C=C.CC.CC/C=C\C(=N/C)C(F)(F)F.CCC.
What is the InChIKey of ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine?
The InChIKey is LEFDXBIFKBOJGT-XAJJEWNZSA-N. The full InChI is InChI=1S/C7H10F3N.C3H8.C2H6.C2H4/c1-3-4-5-6(11-2)7(8,9)10;1-3-2;2*1-2/h4-5H,3H2,1-2H3;3H2,1-2H3;1-2H3;1-2H2/b5-4-,11-6+;;;.
What are the key properties of ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine?
ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine has a molecular weight of 267.38 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;propane;(Z)-1,1,1-trifluoro-N-methylhex-3-en-2-imine is sourced from PubChem (CID 143347082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).