(3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran

C15H11FO — CID 71769444

IUPAC(3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran
SMILESFc1ccc2c(c1)/C(=C/c1ccccc1)OC2
InChIInChI=1S/C15H11FO/c16-13-7-6-12-10-17-15(14(12)9-13)8-11-4-2-1-3-5-11/h1-9H,10H2/b15-8-
InChIKeyBBCYARXZRSTRDJ-NVNXTCNLSA-N
MW226.25 g/mol
LogP3.85
Rot. Bonds1

About (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran

(3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran (PubChem CID 71769444) has the molecular formula C15H11FO and a molecular weight of 226.25 g/mol. Its IUPAC name is (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran
PubChem CID71769444
Molecular FormulaC15H11FO
Molecular Weight226.25 g/mol
Exact Mass226.08
IUPAC Name(3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran
SMILESFc1ccc2c(c1)/C(=C/c1ccccc1)OC2
InChIInChI=1S/C15H11FO/c16-13-7-6-12-10-17-15(14(12)9-13)8-11-4-2-1-3-5-11/h1-9H,10H2/b15-8-
InChIKeyBBCYARXZRSTRDJ-NVNXTCNLSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran?
The IUPAC name of (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran (CID 71769444) is (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran.
What is the SMILES notation for (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran?
The canonical SMILES for (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran is Fc1ccc2c(c1)/C(=C/c1ccccc1)OC2.
What is the InChIKey of (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran?
The InChIKey is BBCYARXZRSTRDJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H11FO/c16-13-7-6-12-10-17-15(14(12)9-13)8-11-4-2-1-3-5-11/h1-9H,10H2/b15-8-.
What are the key properties of (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran?
(3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran has a molecular weight of 226.25 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-5-fluoro-1H-2-benzofuran is sourced from PubChem (CID 71769444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).