methyl 2-[(4-fluorophenyl)methylimino]acetate

C10H10FNO2 — CID 139818805

IUPACmethyl 2-[(4-fluorophenyl)methylimino]acetate
SMILESCOC(=O)/C=N/Cc1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3/b12-7+
InChIKeyZWNLITRHQTZMTP-KPKJPENVSA-N
MW195.19 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-[(4-fluorophenyl)methylimino]acetate

methyl 2-[(4-fluorophenyl)methylimino]acetate (PubChem CID 139818805) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methylimino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methylimino]acetate
PubChem CID139818805
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 2-[(4-fluorophenyl)methylimino]acetate
SMILESCOC(=O)/C=N/Cc1ccc(F)cc1
InChIInChI=1S/C10H10FNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3/b12-7+
InChIKeyZWNLITRHQTZMTP-KPKJPENVSA-N
XLogP1.57
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
Methyl (E)-N-[(p-fluorophenyl)methylene]glycinate
CID 11275592
ethyl 3,3,3-trifluoro-2-[(1S)-1-phenylethyl]iminopropanoate
CID 24809216
Methyl (2E)-[(diphenylmethyl)imino]acetate
CID 12624354
3,3,3-Trifluoro-2-(1-phenyl-ethylimino)-propionic acid ethyl ester
CID 10945611
N-benzyl-2-methoxy-2-oxoethanimine oxide
CID 10921382
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Acetic acid, [(phenylmethyl)imino]-, ethyl ester
CID 11344516
ethyl (2E)-[(diphenylmethyl)imino]ethanoate
CID 11402900
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924
Methyl 2-[(2-fluorophenyl)methylideneamino]acetate
CID 16095934
3-Fluoro-2-(1-phenylethylimino)propanoic acid
CID 21516807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methylimino]acetate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methylimino]acetate (CID 139818805) is methyl 2-[(4-fluorophenyl)methylimino]acetate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methylimino]acetate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methylimino]acetate is COC(=O)/C=N/Cc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methylimino]acetate?
The InChIKey is ZWNLITRHQTZMTP-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3/b12-7+.
What are the key properties of methyl 2-[(4-fluorophenyl)methylimino]acetate?
methyl 2-[(4-fluorophenyl)methylimino]acetate has a molecular weight of 195.19 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methylimino]acetate is sourced from PubChem (CID 139818805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).