1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one

C16H14F2O — CID 69039789

IUPAC1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one
SMILESCC(=O)C(c1ccc(F)c(C)c1)c1ccccc1F
InChIInChI=1S/C16H14F2O/c1-10-9-12(7-8-14(10)17)16(11(2)19)13-5-3-4-6-15(13)18/h3-9,16H,1-2H3
InChIKeyYVHWPSXFLGSWHZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.99
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one

1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one (PubChem CID 69039789) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one
PubChem CID69039789
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one
SMILESCC(=O)C(c1ccc(F)c(C)c1)c1ccccc1F
InChIInChI=1S/C16H14F2O/c1-10-9-12(7-8-14(10)17)16(11(2)19)13-5-3-4-6-15(13)18/h3-9,16H,1-2H3
InChIKeyYVHWPSXFLGSWHZ-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79747229
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(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
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CID 62122201
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
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CID 79747556
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902
N-[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]acetamide
CID 82113315

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one (CID 69039789) is 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one is CC(=O)C(c1ccc(F)c(C)c1)c1ccccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one?
The InChIKey is YVHWPSXFLGSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-10-9-12(7-8-14(10)17)16(11(2)19)13-5-3-4-6-15(13)18/h3-9,16H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one?
1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one has a molecular weight of 260.28 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 69039789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).