1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one

C10H8F4O2 — CID 134620299

IUPAC1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O2/c1-2-9(15)7-4-3-6(5-8(7)11)16-10(12,13)14/h3-5H,2H2,1H3
InChIKeyQGKCNJABYOIQRM-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one

1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 134620299) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID134620299
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC(F)(F)F)cc1F
InChIInChI=1S/C10H8F4O2/c1-2-9(15)7-4-3-6(5-8(7)11)16-10(12,13)14/h3-5H,2H2,1H3
InChIKeyQGKCNJABYOIQRM-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
1-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 118851290
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
methyl 2-propoxy-4-(trifluoromethoxy)benzoate
CID 162583007
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
CID 103395254

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one (CID 134620299) is 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one is CCC(=O)c1ccc(OC(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is QGKCNJABYOIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c1-2-9(15)7-4-3-6(5-8(7)11)16-10(12,13)14/h3-5H,2H2,1H3.
What are the key properties of 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one?
1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 236.16 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 134620299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).