ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine

C11H18F3N — CID 143344370

IUPACethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine
SMILESCC.[H]/N=C(/C=C\C=C\C(F)(F)F)CCC
InChIInChI=1S/C9H12F3N.C2H6/c1-2-5-8(13)6-3-4-7-9(10,11)12;1-2/h3-4,6-7,13H,2,5H2,1H3;1-2H3/b6-3-,7-4+,13-8+;
InChIKeyVAWMFJMIHZIDND-LVQOCNIUSA-N
MW221.27 g/mol
LogP4.51
Rot. Bonds4

About ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine

ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine (PubChem CID 143344370) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine.

Molecular Properties

Compound Nameethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine
PubChem CID143344370
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nameethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine
SMILESCC.[H]/N=C(/C=C\C=C\C(F)(F)F)CCC
InChIInChI=1S/C9H12F3N.C2H6/c1-2-5-8(13)6-3-4-7-9(10,11)12;1-2/h3-4,6-7,13H,2,5H2,1H3;1-2H3/b6-3-,7-4+,13-8+;
InChIKeyVAWMFJMIHZIDND-LVQOCNIUSA-N
XLogP4.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
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

6,6-Difluorocyclohexa-2,4-dien-1-imine
CID 70342878
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
2-(Trifluoromethyl)cyclohepta-2,4-dien-1-imine
CID 123335440
(4Z)-6,7-difluoroocta-4,6-dien-2-imine
CID 123446884
4-Fluorocycloocta-2,4-dien-1-imine
CID 123597459
(4E)-5-fluorohepta-4,6-dien-3-imine
CID 123678972
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
(Z)-2,6-difluorohept-4-en-3-imine
CID 123953026
(4Z,6E)-1,1,1-trifluoronona-4,6,8-trien-3-imine
CID 126629925

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine?
The IUPAC name of ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine (CID 143344370) is ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine.
What is the SMILES notation for ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine?
The canonical SMILES for ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine is CC.[H]/N=C(/C=C\C=C\C(F)(F)F)CCC.
What is the InChIKey of ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine?
The InChIKey is VAWMFJMIHZIDND-LVQOCNIUSA-N. The full InChI is InChI=1S/C9H12F3N.C2H6/c1-2-5-8(13)6-3-4-7-9(10,11)12;1-2/h3-4,6-7,13H,2,5H2,1H3;1-2H3/b6-3-,7-4+,13-8+;.
What are the key properties of ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine?
ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine has a molecular weight of 221.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7E)-9,9,9-trifluoronona-5,7-dien-4-imine is sourced from PubChem (CID 143344370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).