(3E)-3-(fluoromethylidene)-1-benzofuran

C9H7FO — CID 177400604

IUPAC(3E)-3-(fluoromethylidene)-1-benzofuran
SMILESF/C=C1/COc2ccccc21
InChIInChI=1S/C9H7FO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-5H,6H2/b7-5-
InChIKeyJEFNVZZKEAJKEZ-ALCCZGGFSA-N
MW150.15 g/mol
LogP2.39
Rot. Bonds

About (3E)-3-(fluoromethylidene)-1-benzofuran

(3E)-3-(fluoromethylidene)-1-benzofuran (PubChem CID 177400604) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is (3E)-3-(fluoromethylidene)-1-benzofuran.

Molecular Properties

Compound Name(3E)-3-(fluoromethylidene)-1-benzofuran
PubChem CID177400604
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name(3E)-3-(fluoromethylidene)-1-benzofuran
SMILESF/C=C1/COc2ccccc21
InChIInChI=1S/C9H7FO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-5H,6H2/b7-5-
InChIKeyJEFNVZZKEAJKEZ-ALCCZGGFSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(chloromethylidene)-1-benzofuran
CID 177398897
3-benzylidene-1-benzofuran
CID 72960863
2-(1-benzofuran-3-ylidenemethyl)phenol
CID 175329416
[(E)-1-benzofuran-3-ylidenemethyl]-tributylstannane
CID 177489225
6H-benzo[c]chromene;hydrobromide
CID 70547533
3-[(4-bromophenyl)methylidene]chromen-4-one
CID 915612
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
3-fluoro-2H-chromen-4-ol
CID 175979949
(3E)-3-(piperidin-1-ylmethylidene)chromen-4-one
CID 12626428
1-benzofuran-3-one;ethane
CID 90876800
(3Z)-3-[(4-fluorophenyl)tellanylmethylidene]chromen-4-one
CID 134933237
3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one
CID 2733028

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(fluoromethylidene)-1-benzofuran?
The IUPAC name of (3E)-3-(fluoromethylidene)-1-benzofuran (CID 177400604) is (3E)-3-(fluoromethylidene)-1-benzofuran.
What is the SMILES notation for (3E)-3-(fluoromethylidene)-1-benzofuran?
The canonical SMILES for (3E)-3-(fluoromethylidene)-1-benzofuran is F/C=C1/COc2ccccc21.
What is the InChIKey of (3E)-3-(fluoromethylidene)-1-benzofuran?
The InChIKey is JEFNVZZKEAJKEZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H7FO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-5H,6H2/b7-5-.
What are the key properties of (3E)-3-(fluoromethylidene)-1-benzofuran?
(3E)-3-(fluoromethylidene)-1-benzofuran has a molecular weight of 150.15 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(fluoromethylidene)-1-benzofuran is sourced from PubChem (CID 177400604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).