5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one

C12H10ClF4NO2 — CID 102443365

IUPAC5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CC(F)(F)C(F)(F)Cl)CN1c1ccccc1
InChIInChI=1S/C12H10ClF4NO2/c13-12(16,17)11(14,15)6-9-7-18(10(19)20-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyKFKCJDKCGAXMEL-UHFFFAOYSA-N
MW311.66 g/mol
LogP3.87
Rot. Bonds4

About 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one

5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 102443365) has the molecular formula C12H10ClF4NO2 and a molecular weight of 311.66 g/mol. Its IUPAC name is 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one
PubChem CID102443365
Molecular FormulaC12H10ClF4NO2
Molecular Weight311.66 g/mol
Exact Mass311.03
IUPAC Name5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CC(F)(F)C(F)(F)Cl)CN1c1ccccc1
InChIInChI=1S/C12H10ClF4NO2/c13-12(16,17)11(14,15)6-9-7-18(10(19)20-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyKFKCJDKCGAXMEL-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.66
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 51453772
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 58836526
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 117063703

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one (CID 102443365) is 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(CC(F)(F)C(F)(F)Cl)CN1c1ccccc1.
What is the InChIKey of 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KFKCJDKCGAXMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF4NO2/c13-12(16,17)11(14,15)6-9-7-18(10(19)20-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one?
5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 311.66 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2,2,3,3-tetrafluoropropyl)-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102443365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).