(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine

C6H7ClFN — CID 162436286

IUPAC(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C\C(Cl)=C\F
InChIInChI=1S/C6H7ClFN/c1-9-4-2-3-6(7)5-8/h2-5H,1H3/b3-2-,6-5-,9-4+
InChIKeyKUJKGGBTTRBNHE-YGPBBABDSA-N
MW147.58 g/mol
LogP2.29
Rot. Bonds2

About (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine

(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine (PubChem CID 162436286) has the molecular formula C6H7ClFN and a molecular weight of 147.58 g/mol. Its IUPAC name is (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine
PubChem CID162436286
Molecular FormulaC6H7ClFN
Molecular Weight147.58 g/mol
Exact Mass147.03
IUPAC Name(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C\C(Cl)=C\F
InChIInChI=1S/C6H7ClFN/c1-9-4-2-3-6(7)5-8/h2-5H,1H3/b3-2-,6-5-,9-4+
InChIKeyKUJKGGBTTRBNHE-YGPBBABDSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.58
LogP ≤ 52.29
H-Bond Donors ≤ 50
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

7-chloro-3-fluoro-N-methylocta-2,4,6-trien-1-imine
CID 91280483
(Z)-N-[(1Z)-1-chloro-2-fluorobuta-1,3-dienyl]ethanimine
CID 144161363
(2E)-3-fluoro-N-methylpenta-2,4-dien-1-imine
CID 144460052
(E)-2-chloro-N-[(1E,3Z)-1-fluoropenta-1,3-dienyl]ethanimine
CID 145515219
(2E)-3-fluoro-N-methylpenta-2,4-dienimidoyl chloride
CID 157029734
(2E)-2-fluoro-N-methylpenta-2,4-dien-1-imine
CID 174265540
(2Z,4E)-5-fluoro-N-methylpenta-2,4-dien-1-imine
CID 142827323
(2E)-2-chloro-N-methylpenta-2,4-dien-1-imine
CID 88234297
(2Z,4E)-5-chloro-N-methylhexa-2,4-dien-1-imine
CID 117724630
(2Z)-4-chloro-N-methylpenta-2,4-dien-1-imine
CID 142082762
(2E,4E)-3,5-dichloro-N-methylpenta-2,4-dien-1-imine
CID 143657118
(2E,4E)-2-chloro-N-methylhexa-2,4-dien-1-imine
CID 155129264

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine (CID 162436286) is (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine is C/N=C/C=C\C(Cl)=C\F.
What is the InChIKey of (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine?
The InChIKey is KUJKGGBTTRBNHE-YGPBBABDSA-N. The full InChI is InChI=1S/C6H7ClFN/c1-9-4-2-3-6(7)5-8/h2-5H,1H3/b3-2-,6-5-,9-4+.
What are the key properties of (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine?
(2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine has a molecular weight of 147.58 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-chloro-5-fluoro-N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 162436286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).