(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

C15H10ClFO2 — CID 43160534

IUPAC(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFO2/c16-13-8-11(17)2-3-12(13)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2
InChIKeyFSRQBDGAOQYWML-UHFFFAOYSA-N
MW276.69 g/mol
LogP3.64
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43160534) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43160534
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccc(F)cc1Cl
InChIInChI=1S/C15H10ClFO2/c16-13-8-11(17)2-3-12(13)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2
InChIKeyFSRQBDGAOQYWML-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
1-(2-chloro-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 65446250
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107944745
2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methanone
CID 65434765
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
(3-amino-2,6-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79773139
2-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968207

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43160534) is (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is FSRQBDGAOQYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c16-13-8-11(17)2-3-12(13)15(18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8H,5-6H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone?
(2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 276.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43160534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).