2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one

C10H9F3O — CID 22953700

IUPAC2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
SMILESCC(C)C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H9F3O/c1-5(2)10(14)6-3-8(12)9(13)4-7(6)11/h3-5H,1-2H3
InChIKeyVROJZTWOLQIHHB-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.94
Rot. Bonds2

About 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one

2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one (PubChem CID 22953700) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
PubChem CID22953700
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
SMILESCC(C)C(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C10H9F3O/c1-5(2)10(14)6-3-8(12)9(13)4-7(6)11/h3-5H,1-2H3
InChIKeyVROJZTWOLQIHHB-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-methoxy-5-(2-methylpropanoyl)benzenesulfonamide
CID 142910750
3-tert-butylimino-2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one
CID 57163483
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
1-(2,4-difluoro-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309423
2-bromo-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
CID 62866207
(2-ethylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693764
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
1-(4-bromo-5-chloro-2-fluorophenyl)-2-chloropropan-1-one
CID 105398210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one?
The IUPAC name of 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one (CID 22953700) is 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one is CC(C)C(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one?
The InChIKey is VROJZTWOLQIHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-5(2)10(14)6-3-8(12)9(13)4-7(6)11/h3-5H,1-2H3.
What are the key properties of 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one?
2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one has a molecular weight of 202.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,5-trifluorophenyl)propan-1-one is sourced from PubChem (CID 22953700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).