3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one

C14H11F2NO2 — CID 91933403

IUPAC3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C/C=N/c2ccc(F)cc2F)o1
InChIInChI=1S/C14H11F2NO2/c1-9-2-5-14(19-9)13(18)6-7-17-12-4-3-10(15)8-11(12)16/h2-5,7-8H,6H2,1H3/b17-7+
InChIKeyNEJWEPMZKFQTTL-REZTVBANSA-N
MW263.24 g/mol
LogP3.84
Rot. Bonds4

About 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one

3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 91933403) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID91933403
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C/C=N/c2ccc(F)cc2F)o1
InChIInChI=1S/C14H11F2NO2/c1-9-2-5-14(19-9)13(18)6-7-17-12-4-3-10(15)8-11(12)16/h2-5,7-8H,6H2,1H3/b17-7+
InChIKeyNEJWEPMZKFQTTL-REZTVBANSA-N
XLogP3.84
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one (CID 91933403) is 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one is Cc1ccc(C(=O)C/C=N/c2ccc(F)cc2F)o1.
What is the InChIKey of 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is NEJWEPMZKFQTTL-REZTVBANSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-2-5-14(19-9)13(18)6-7-17-12-4-3-10(15)8-11(12)16/h2-5,7-8H,6H2,1H3/b17-7+.
What are the key properties of 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one?
3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 263.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)imino-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 91933403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).