(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride

C14H21ClFN — CID 145143816

IUPAC(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
SMILESC/C=C(F)\C(C(/Cl)=N/C=C/CC)=C(\C)CCC
InChIInChI=1S/C14H21ClFN/c1-5-8-10-17-14(15)13(12(16)7-3)11(4)9-6-2/h7-8,10H,5-6,9H2,1-4H3/b10-8+,12-7+,13-11+,17-14-
InChIKeyZVNNMYSFTOJDDI-UYWDQXERSA-N
MW257.78 g/mol
LogP5.54
Rot. Bonds6

About (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride

(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride (PubChem CID 145143816) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
PubChem CID145143816
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride
SMILESC/C=C(F)\C(C(/Cl)=N/C=C/CC)=C(\C)CCC
InChIInChI=1S/C14H21ClFN/c1-5-8-10-17-14(15)13(12(16)7-3)11(4)9-6-2/h7-8,10H,5-6,9H2,1-4H3/b10-8+,12-7+,13-11+,17-14-
InChIKeyZVNNMYSFTOJDDI-UYWDQXERSA-N
XLogP5.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.78
LogP ≤ 55.54
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

(Z)-N-[(1E)-3-chloro-4-fluoro-5-methylhexa-1,3-dienyl]hept-4-en-3-imine
CID 123885784
(3E)-2-chloro-3-(2-fluoroprop-2-enylidene)-4-methylidenepyridine
CID 145414439
(4E,5E)-5-(2-chloroprop-2-enylidene)-3-ethenyl-4-ethylidene-2-fluoropyridine
CID 171555436
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
2-Chloro-3,4-di(ethylidene)-5-methylpyridine
CID 91064474
2-chloro-6-propyl-3H-azepine
CID 123532702
5-ethenyl-N,4-dimethyl-2-methylidenehepta-4,6-dienimidoyl chloride
CID 132223270
(4Z)-4-[(Z)-but-2-enylidene]-2-chloro-3-methylidenepyridine
CID 132264479
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
N-[(E)-but-1-enyl]-2-propan-2-ylidenepentanimidoyl chloride;ethane
CID 142934741
ethane;N-[(Z,3Z)-3-ethylidenehept-1-enyl]ethanimidoyl chloride
CID 143343534
(Z)-N,3-bis(ethenyl)hex-2-enimidoyl chloride;ethane
CID 143344511

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride?
The IUPAC name of (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride (CID 145143816) is (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride.
What is the SMILES notation for (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride?
The canonical SMILES for (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride is C/C=C(F)\C(C(/Cl)=N/C=C/CC)=C(\C)CCC.
What is the InChIKey of (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride?
The InChIKey is ZVNNMYSFTOJDDI-UYWDQXERSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-5-8-10-17-14(15)13(12(16)7-3)11(4)9-6-2/h7-8,10H,5-6,9H2,1-4H3/b10-8+,12-7+,13-11+,17-14-.
What are the key properties of (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride?
(E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride has a molecular weight of 257.78 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidoyl chloride is sourced from PubChem (CID 145143816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).