N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride

C8H11ClFNO — CID 169155066

IUPACN-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride
SMILESC=C(OC)C(/N=C(\C)Cl)=C(/C)F
InChIInChI=1S/C8H11ClFNO/c1-5(10)8(6(2)12-4)11-7(3)9/h2H2,1,3-4H3/b8-5+,11-7+
InChIKeyYLOOLXIYWOXKRL-FBSVACHXSA-N
MW191.63 g/mol
LogP3.00
Rot. Bonds3

About N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride

N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride (PubChem CID 169155066) has the molecular formula C8H11ClFNO and a molecular weight of 191.63 g/mol. Its IUPAC name is N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride
PubChem CID169155066
Molecular FormulaC8H11ClFNO
Molecular Weight191.63 g/mol
Exact Mass191.05
IUPAC NameN-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride
SMILESC=C(OC)C(/N=C(\C)Cl)=C(/C)F
InChIInChI=1S/C8H11ClFNO/c1-5(10)8(6(2)12-4)11-7(3)9/h2H2,1,3-4H3/b8-5+,11-7+
InChIKeyYLOOLXIYWOXKRL-FBSVACHXSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.63
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate
CID 155687621
1-chloro-1-methoxyethene
CID 20553412
fluoromethane;2-methoxyprop-1-ene
CID 143721713
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride
CID 163697745
methyl (1E)-2-chloro-N-(1-chloroethenyl)prop-2-enimidate
CID 145374341
N-(1-methoxyethenyl)methanimine
CID 123326065
(E)-2-fluoro-3-methoxybut-2-ene
CID 163586290
(Z)-2-chloro-1-fluoroprop-1-en-1-ol
CID 173270736
(3Z,5Z)-3,5,7,7,7-pentachloro-2-methoxy-6-methylhepta-1,3,5-trien-4-ol
CID 89351492
3-(methylideneamino)oxybut-3-en-2-one
CID 144823891
(4E)-4-chloro-6-methoxy-5-methyl-3-methylidenehepta-4,6-dienenitrile
CID 144554325

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride?
The IUPAC name of N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride (CID 169155066) is N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride.
What is the SMILES notation for N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride?
The canonical SMILES for N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride is C=C(OC)C(/N=C(\C)Cl)=C(/C)F.
What is the InChIKey of N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride?
The InChIKey is YLOOLXIYWOXKRL-FBSVACHXSA-N. The full InChI is InChI=1S/C8H11ClFNO/c1-5(10)8(6(2)12-4)11-7(3)9/h2H2,1,3-4H3/b8-5+,11-7+.
What are the key properties of N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride?
N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride has a molecular weight of 191.63 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4-fluoro-2-methoxypenta-1,3-dien-3-yl]ethanimidoyl chloride is sourced from PubChem (CID 169155066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).