acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane

C20H26F3N — CID 143814370

IUPACacetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane
SMILESC#C.CCF.[H]/N=C1\CCC(/C(C)=C/C=C(/F)C=C)=C1C/C=C\CF
InChIInChI=1S/C16H19F2N.C2H5F.C2H2/c1-3-13(18)8-7-12(2)14-9-10-16(19)15(14)6-4-5-11-17;1-2-3;1-2/h3-5,7-8,19H,1,6,9-11H2,2H3;2H2,1H3;1-2H/b5-4-,12-7+,13-8+,19-16+;;
InChIKeyRZTSCIMZNLXIDT-AWZQBUKASA-N
MW337.43 g/mol
LogP6.22
Rot. Bonds6

About acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane

acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane (PubChem CID 143814370) has the molecular formula C20H26F3N and a molecular weight of 337.43 g/mol. Its IUPAC name is acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane.

Molecular Properties

Compound Nameacetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane
PubChem CID143814370
Molecular FormulaC20H26F3N
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Nameacetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane
SMILESC#C.CCF.[H]/N=C1\CCC(/C(C)=C/C=C(/F)C=C)=C1C/C=C\CF
InChIInChI=1S/C16H19F2N.C2H5F.C2H2/c1-3-13(18)8-7-12(2)14-9-10-16(19)15(14)6-4-5-11-17;1-2-3;1-2/h3-5,7-8,19H,1,6,9-11H2,2H3;2H2,1H3;1-2H/b5-4-,12-7+,13-8+,19-16+;;
InChIKeyRZTSCIMZNLXIDT-AWZQBUKASA-N
XLogP6.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 56.22
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane with MolForge

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Related Compounds

2-[(2E,4Z)-1,6-difluorohexa-2,4-dien-3-yl]-3-[(2Z,4E)-4-methylsulfanylhexa-2,4-dienyl]cyclopent-2-en-1-imine
CID 143814366
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine
CID 143814371
11-Ethylidenetetradeca-9,12-dien-5-imine
CID 123235683
ethane;(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
CID 143718087
2-[(2E,4Z)-1,6-difluorohexa-2,4-dien-3-yl]-3-[(2Z,4E)-4-methylsulfanylhexa-2,4-dienyl]cyclopent-2-en-1-imine;ethane
CID 143814374
ethane;(4Z)-4-prop-2-enylideneoctan-3-imine
CID 144333425
(10Z,12E)-10-ethenyltetradeca-1,10,12-trien-3-imine
CID 163765893
(2Z,5E,6Z)-8-(cyclopenten-1-yl)-5-ethylidene-6-methylocta-2,6-dien-4-imine
CID 166776667
(3E,4Z,6E)-3-ethylidene-5-methyltetradeca-4,6-dien-2-imine
CID 166922334
(2Z)-3-ethyl-4-methyl-2-[(Z)-2-methylhex-3-enylidene]cyclopent-3-en-1-imine
CID 143718088
(4Z)-4-prop-2-enylideneoctan-3-imine
CID 144333426

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane?
The IUPAC name of acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane (CID 143814370) is acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane.
What is the SMILES notation for acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane?
The canonical SMILES for acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane is C#C.CCF.[H]/N=C1\CCC(/C(C)=C/C=C(/F)C=C)=C1C/C=C\CF.
What is the InChIKey of acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane?
The InChIKey is RZTSCIMZNLXIDT-AWZQBUKASA-N. The full InChI is InChI=1S/C16H19F2N.C2H5F.C2H2/c1-3-13(18)8-7-12(2)14-9-10-16(19)15(14)6-4-5-11-17;1-2-3;1-2/h3-5,7-8,19H,1,6,9-11H2,2H3;2H2,1H3;1-2H/b5-4-,12-7+,13-8+,19-16+;;.
What are the key properties of acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane?
acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane has a molecular weight of 337.43 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[(Z)-4-fluorobut-2-enyl]-3-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]cyclopent-2-en-1-imine;fluoroethane is sourced from PubChem (CID 143814370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).