2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one

C14H13FO2 — CID 64759760

IUPAC2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FO2/c1-14(2,11-3-5-12(15)6-4-11)13(16)10-7-8-17-9-10/h3-9H,1-2H3
InChIKeyDPZQHTZULLTEMY-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one

2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one (PubChem CID 64759760) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one
PubChem CID64759760
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FO2/c1-14(2,11-3-5-12(15)6-4-11)13(16)10-7-8-17-9-10/h3-9H,1-2H3
InChIKeyDPZQHTZULLTEMY-UHFFFAOYSA-N
XLogP3.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759777
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-one
CID 64757945
1-(furan-3-yl)-2-hydroxy-2-methylpropan-1-one
CID 15504484
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
3-amino-1-(furan-3-yl)-2,2,3-trimethylbutan-1-one
CID 116573777
1-(3-bromofuran-2-yl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759970
2-(dimethylamino)-1-(furan-3-yl)-2-methylbutan-1-one
CID 79064147
1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 79697694
furan-3-carboxylic acid;dihydrochloride
CID 141114987
2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
CID 116598705
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one (CID 64759760) is 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one is CC(C)(C(=O)c1ccoc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one?
The InChIKey is DPZQHTZULLTEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-14(2,11-3-5-12(15)6-4-11)13(16)10-7-8-17-9-10/h3-9H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one?
2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one has a molecular weight of 232.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(furan-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 64759760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).