(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine

C12H16FN — CID 174097154

IUPAC(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
SMILESC=C/C(C)=C/C=C(/F)N=C(C)/C=C\C
InChIInChI=1S/C12H16FN/c1-5-7-11(4)14-12(13)9-8-10(3)6-2/h5-9H,2H2,1,3-4H3/b7-5-,10-8+,12-9-,14-11?
InChIKeyFTVXMEOVSZZTCL-NRSJLQIBSA-N
MW193.26 g/mol
LogP3.97
Rot. Bonds4

About (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine

(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine (PubChem CID 174097154) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
PubChem CID174097154
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
SMILESC=C/C(C)=C/C=C(/F)N=C(C)/C=C\C
InChIInChI=1S/C12H16FN/c1-5-7-11(4)14-12(13)9-8-10(3)6-2/h5-9H,2H2,1,3-4H3/b7-5-,10-8+,12-9-,14-11?
InChIKeyFTVXMEOVSZZTCL-NRSJLQIBSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine?
The IUPAC name of (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine (CID 174097154) is (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine?
The canonical SMILES for (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine is C=C/C(C)=C/C=C(/F)N=C(C)/C=C\C.
What is the InChIKey of (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine?
The InChIKey is FTVXMEOVSZZTCL-NRSJLQIBSA-N. The full InChI is InChI=1S/C12H16FN/c1-5-7-11(4)14-12(13)9-8-10(3)6-2/h5-9H,2H2,1,3-4H3/b7-5-,10-8+,12-9-,14-11?.
What are the key properties of (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine?
(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine has a molecular weight of 193.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine is sourced from PubChem (CID 174097154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).