5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine

C10H7Cl2F4NO — CID 123673594

IUPAC5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine
SMILESFc1c(Cl)cc(C2(C(F)(F)F)CCNO2)cc1Cl
InChIInChI=1S/C10H7Cl2F4NO/c11-6-3-5(4-7(12)8(6)13)9(10(14,15)16)1-2-17-18-9/h3-4,17H,1-2H2
InChIKeyPUDOCIWVRVBFJY-UHFFFAOYSA-N
MW304.07 g/mol
LogP3.82
Rot. Bonds1

About 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine

5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 123673594) has the molecular formula C10H7Cl2F4NO and a molecular weight of 304.07 g/mol. Its IUPAC name is 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine
PubChem CID123673594
Molecular FormulaC10H7Cl2F4NO
Molecular Weight304.07 g/mol
Exact Mass302.98
IUPAC Name5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine
SMILESFc1c(Cl)cc(C2(C(F)(F)F)CCNO2)cc1Cl
InChIInChI=1S/C10H7Cl2F4NO/c11-6-3-5(4-7(12)8(6)13)9(10(14,15)16)1-2-17-18-9/h3-4,17H,1-2H2
InChIKeyPUDOCIWVRVBFJY-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.07
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 141313211
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
CID 164873478
(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71679649
(5S)-5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoroazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 71679810
methyl 2-(3,5-dichloro-4-fluorophenyl)-6-methylidene-2-(trifluoromethyl)-3H-pyran-4-carboxylate
CID 170555242
[7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-4-yl]methanol
CID 121438020
3-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 154015198
5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoro-1-methylazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 88582363
2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan
CID 71509083
2-cyclopropyl-1-[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone
CID 88582344
3-[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3-oxopropanenitrile
CID 88582412
2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(1-methylcyclopropyl)-1,3-dihydroisoindole-5-carboxamide
CID 172766631

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine (CID 123673594) is 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine is Fc1c(Cl)cc(C2(C(F)(F)F)CCNO2)cc1Cl.
What is the InChIKey of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is PUDOCIWVRVBFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F4NO/c11-6-3-5(4-7(12)8(6)13)9(10(14,15)16)1-2-17-18-9/h3-4,17H,1-2H2.
What are the key properties of 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine?
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 304.07 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 123673594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).