2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one

C10H8F4O2 — CID 101146953

IUPAC2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
SMILESCOC(F)(C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8F4O2/c1-16-9(11,10(12,13)14)8(15)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyBHCUPVNLKVQHAU-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.74
Rot. Bonds3

About 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one

2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one (PubChem CID 101146953) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
PubChem CID101146953
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one
SMILESCOC(F)(C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8F4O2/c1-16-9(11,10(12,13)14)8(15)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyBHCUPVNLKVQHAU-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470
1-phenyl-2,2-bis(trifluoromethyl)butan-1-one
CID 71529526
2-[dimethyl(phenyl)silyl]oxy-2-methyl-1-phenylpropan-1-one
CID 22163374
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one
CID 151245335
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
ethyl 2,2-dimethoxy-3-oxo-3-phenylpropanoate
CID 15048899
methyl 2-benzoyl-2-fluorobutanoate
CID 169171309
tert-butyl 2-benzoyl-3,3,3-trifluoro-2-methylpropanoate
CID 102326768
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one (CID 101146953) is 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one is COC(F)(C(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one?
The InChIKey is BHCUPVNLKVQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c1-16-9(11,10(12,13)14)8(15)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one?
2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one has a molecular weight of 236.16 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-methoxy-1-phenylpropan-1-one is sourced from PubChem (CID 101146953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).