[(E)-1-(4-fluorophenyl)ethylideneamino] acetate

C10H10FNO2 — CID 71527135

IUPAC[(E)-1-(4-fluorophenyl)ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-7(12-14-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1-2H3/b12-7+
InChIKeyMDRLJMJNUOQCMH-KPKJPENVSA-N
MW195.19 g/mol
LogP2.11
Rot. Bonds2

About [(E)-1-(4-fluorophenyl)ethylideneamino] acetate

[(E)-1-(4-fluorophenyl)ethylideneamino] acetate (PubChem CID 71527135) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is [(E)-1-(4-fluorophenyl)ethylideneamino] acetate.

Molecular Properties

Compound Name[(E)-1-(4-fluorophenyl)ethylideneamino] acetate
PubChem CID71527135
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name[(E)-1-(4-fluorophenyl)ethylideneamino] acetate
SMILESCC(=O)O/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-7(12-14-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1-2H3/b12-7+
InChIKeyMDRLJMJNUOQCMH-KPKJPENVSA-N
XLogP2.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 5464950
A-967079
CID 42641861
Acetophenonoxime
CID 69185
4'-Fluoroacetophenone oxime
CID 5382861
1-Phenyl-1-ethanone oxime
CID 5324612
[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
CID 352429
1-(2-{[(Cyclopropylcarbonyl)oxy]ethanimidoyl}cyclopropyl)-4-fluorobenzene
CID 9667056
3-phenyl-6H-1,2-oxazin-6-one
CID 2802287
((1-Phenylethylidene)amino)acetic acid
CID 276779
(NE)-N-[(E)-1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 44135995
(NE)-N-[(E)-1-(4-fluorophenyl)-2-methylhex-1-en-3-ylidene]hydroxylamine
CID 44137961
(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime
CID 60150207

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-fluorophenyl)ethylideneamino] acetate?
The IUPAC name of [(E)-1-(4-fluorophenyl)ethylideneamino] acetate (CID 71527135) is [(E)-1-(4-fluorophenyl)ethylideneamino] acetate.
What is the SMILES notation for [(E)-1-(4-fluorophenyl)ethylideneamino] acetate?
The canonical SMILES for [(E)-1-(4-fluorophenyl)ethylideneamino] acetate is CC(=O)O/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of [(E)-1-(4-fluorophenyl)ethylideneamino] acetate?
The InChIKey is MDRLJMJNUOQCMH-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-7(12-14-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1-2H3/b12-7+.
What are the key properties of [(E)-1-(4-fluorophenyl)ethylideneamino] acetate?
[(E)-1-(4-fluorophenyl)ethylideneamino] acetate has a molecular weight of 195.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-fluorophenyl)ethylideneamino] acetate is sourced from PubChem (CID 71527135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).