(4-fluorophenyl)-(3-methylfuran-2-yl)methanone

C12H9FO2 — CID 43462648

IUPAC(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H9FO2/c1-8-6-7-15-12(8)11(14)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyHISBGXDKSSPSNT-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.96
Rot. Bonds2

About (4-fluorophenyl)-(3-methylfuran-2-yl)methanone

(4-fluorophenyl)-(3-methylfuran-2-yl)methanone (PubChem CID 43462648) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
PubChem CID43462648
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C12H9FO2/c1-8-6-7-15-12(8)11(14)9-2-4-10(13)5-3-9/h2-7H,1H3
InChIKeyHISBGXDKSSPSNT-UHFFFAOYSA-N
XLogP2.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-methylfuran-2-yl)methanone (CID 43462648) is (4-fluorophenyl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(3-methylfuran-2-yl)methanone?
The InChIKey is HISBGXDKSSPSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c1-8-6-7-15-12(8)11(14)9-2-4-10(13)5-3-9/h2-7H,1H3.
What are the key properties of (4-fluorophenyl)-(3-methylfuran-2-yl)methanone?
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone has a molecular weight of 204.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 43462648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).