(2-fluorophenyl) 3-(furan-2-yl)propanoate

C13H11FO3 — CID 78776978

IUPAC(2-fluorophenyl) 3-(furan-2-yl)propanoate
SMILESO=C(CCc1ccco1)Oc1ccccc1F
InChIInChI=1S/C13H11FO3/c14-11-5-1-2-6-12(11)17-13(15)8-7-10-4-3-9-16-10/h1-6,9H,7-8H2
InChIKeyQCGZNMXPLSWXEO-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.96
Rot. Bonds4

About (2-fluorophenyl) 3-(furan-2-yl)propanoate

(2-fluorophenyl) 3-(furan-2-yl)propanoate (PubChem CID 78776978) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is (2-fluorophenyl) 3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name(2-fluorophenyl) 3-(furan-2-yl)propanoate
PubChem CID78776978
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name(2-fluorophenyl) 3-(furan-2-yl)propanoate
SMILESO=C(CCc1ccco1)Oc1ccccc1F
InChIInChI=1S/C13H11FO3/c14-11-5-1-2-6-12(11)17-13(15)8-7-10-4-3-9-16-10/h1-6,9H,7-8H2
InChIKeyQCGZNMXPLSWXEO-UHFFFAOYSA-N
XLogP2.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluorophenyl) hexanedioate
CID 91704928
(2-fluorophenyl) 3-sulfanylpropanoate
CID 86052202
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(furan-2-yl)propanamide
CID 86940639
(1-oxo-1-phenylpropan-2-yl) 3-(furan-2-yl)propanoate
CID 55322975
(2-fluorophenyl) 4-thiophen-2-ylbutanoate
CID 78777100
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413
4-O-(2-fluorophenyl) 1-O-(2-propylphenyl) butanedioate
CID 91735547
2-bromoethyl 3-(furan-2-yl)propanoate
CID 174386659
(4-nitrophenyl) 3-(furan-2-yl)propanoate
CID 71581390
1-O-(2-fluorophenyl) 5-O-naphthalen-1-yl pentanedioate
CID 91718911
4-O-(2,3-dimethylphenyl) 1-O-(2-fluorophenyl) butanedioate
CID 91733507

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 3-(furan-2-yl)propanoate?
The IUPAC name of (2-fluorophenyl) 3-(furan-2-yl)propanoate (CID 78776978) is (2-fluorophenyl) 3-(furan-2-yl)propanoate.
What is the SMILES notation for (2-fluorophenyl) 3-(furan-2-yl)propanoate?
The canonical SMILES for (2-fluorophenyl) 3-(furan-2-yl)propanoate is O=C(CCc1ccco1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 3-(furan-2-yl)propanoate?
The InChIKey is QCGZNMXPLSWXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-11-5-1-2-6-12(11)17-13(15)8-7-10-4-3-9-16-10/h1-6,9H,7-8H2.
What are the key properties of (2-fluorophenyl) 3-(furan-2-yl)propanoate?
(2-fluorophenyl) 3-(furan-2-yl)propanoate has a molecular weight of 234.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 3-(furan-2-yl)propanoate is sourced from PubChem (CID 78776978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).