2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone

C11H10F4O2 — CID 91657905

IUPAC2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
SMILESCCCOc1cc(F)cc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C11H10F4O2/c1-2-3-17-9-5-7(4-8(12)6-9)10(16)11(13,14)15/h4-6H,2-3H2,1H3
InChIKeyFOJACQYVMKKZPH-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.36
Rot. Bonds4

About 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone

2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone (PubChem CID 91657905) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
PubChem CID91657905
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
SMILESCCCOc1cc(F)cc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C11H10F4O2/c1-2-3-17-9-5-7(4-8(12)6-9)10(16)11(13,14)15/h4-6H,2-3H2,1H3
InChIKeyFOJACQYVMKKZPH-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-propoxybenzoic acid
CID 91636267
1-(3-fluoro-5-propoxyphenyl)propan-1-one
CID 91655290
3-fluoro-5-propoxyaniline
CID 80752315
3-(5-amino-5-oxopentoxy)-5-fluorobenzoic acid
CID 114281657
1-(3,5-difluorophenyl)-2,2-difluorobutan-1-one
CID 164660566
3,3,4,4-tetrafluoro-1-(3-fluoro-5-propoxyphenyl)butan-1-ol
CID 172798464
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
3-butoxy-5-(trifluoromethyl)benzoic acid
CID 118349151
ethyl 3-(3,5-difluorophenyl)-2,2-difluoro-3-oxopropanoate
CID 62393594
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone (CID 91657905) is 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone is CCCOc1cc(F)cc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone?
The InChIKey is FOJACQYVMKKZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-2-3-17-9-5-7(4-8(12)6-9)10(16)11(13,14)15/h4-6H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone?
2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone has a molecular weight of 250.19 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone is sourced from PubChem (CID 91657905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).