(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine

C15H16Cl2FNS — CID 176967293

IUPAC(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine
SMILESCC/C=C(C)\C=N/C(Sc1cccc(Cl)c1Cl)=C(\C)F
InChIInChI=1S/C15H16Cl2FNS/c1-4-6-10(2)9-19-15(11(3)18)20-13-8-5-7-12(16)14(13)17/h5-9H,4H2,1-3H3/b10-6-,15-11-,19-9-
InChIKeyVXCHNDZJBPCQHJ-XRLBOEDTSA-N
MW332.27 g/mol
LogP6.67
Rot. Bonds5

About (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine

(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine (PubChem CID 176967293) has the molecular formula C15H16Cl2FNS and a molecular weight of 332.27 g/mol. Its IUPAC name is (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine
PubChem CID176967293
Molecular FormulaC15H16Cl2FNS
Molecular Weight332.27 g/mol
Exact Mass331.04
IUPAC Name(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine
SMILESCC/C=C(C)\C=N/C(Sc1cccc(Cl)c1Cl)=C(\C)F
InChIInChI=1S/C15H16Cl2FNS/c1-4-6-10(2)9-19-15(11(3)18)20-13-8-5-7-12(16)14(13)17/h5-9H,4H2,1-3H3/b10-6-,15-11-,19-9-
InChIKeyVXCHNDZJBPCQHJ-XRLBOEDTSA-N
XLogP6.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.27
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine?
The IUPAC name of (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine (CID 176967293) is (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine is CC/C=C(C)\C=N/C(Sc1cccc(Cl)c1Cl)=C(\C)F.
What is the InChIKey of (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine?
The InChIKey is VXCHNDZJBPCQHJ-XRLBOEDTSA-N. The full InChI is InChI=1S/C15H16Cl2FNS/c1-4-6-10(2)9-19-15(11(3)18)20-13-8-5-7-12(16)14(13)17/h5-9H,4H2,1-3H3/b10-6-,15-11-,19-9-.
What are the key properties of (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine?
(Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine has a molecular weight of 332.27 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-[(Z)-1-(2,3-dichlorophenyl)sulfanyl-2-fluoroprop-1-enyl]-2-methylpent-2-en-1-imine is sourced from PubChem (CID 176967293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).