[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone

C13H10ClFO3 — CID 82092643

IUPAC[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(CCl)o2)cc1F
InChIInChI=1S/C13H10ClFO3/c1-17-11-4-2-8(6-10(11)15)13(16)12-5-3-9(7-14)18-12/h2-6H,7H2,1H3
InChIKeyQLYICIBSVVIQSB-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.40
Rot. Bonds4

About [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone

[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 82092643) has the molecular formula C13H10ClFO3 and a molecular weight of 268.67 g/mol. Its IUPAC name is [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID82092643
Molecular FormulaC13H10ClFO3
Molecular Weight268.67 g/mol
Exact Mass268.03
IUPAC Name[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(CCl)o2)cc1F
InChIInChI=1S/C13H10ClFO3/c1-17-11-4-2-8(6-10(11)15)13(16)12-5-3-9(7-14)18-12/h2-6H,7H2,1H3
InChIKeyQLYICIBSVVIQSB-UHFFFAOYSA-N
XLogP3.40
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
[5-(chloromethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82087506
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 82092643) is [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(CCl)o2)cc1F.
What is the InChIKey of [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is QLYICIBSVVIQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO3/c1-17-11-4-2-8(6-10(11)15)13(16)12-5-3-9(7-14)18-12/h2-6H,7H2,1H3.
What are the key properties of [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 268.67 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)furan-2-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 82092643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).