2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane

C10H8Cl3FO — CID 21440287

IUPAC2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane
SMILESFc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1
InChIInChI=1S/C10H8Cl3FO/c11-10(12,13)5-9(6-15-9)7-2-1-3-8(14)4-7/h1-4H,5-6H2
InChIKeyDFRDIDKPEKVFTP-UHFFFAOYSA-N
MW269.53 g/mol
LogP3.81
Rot. Bonds2

About 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane

2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane (PubChem CID 21440287) has the molecular formula C10H8Cl3FO and a molecular weight of 269.53 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane
PubChem CID21440287
Molecular FormulaC10H8Cl3FO
Molecular Weight269.53 g/mol
Exact Mass267.96
IUPAC Name2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane
SMILESFc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1
InChIInChI=1S/C10H8Cl3FO/c11-10(12,13)5-9(6-15-9)7-2-1-3-8(14)4-7/h1-4H,5-6H2
InChIKeyDFRDIDKPEKVFTP-UHFFFAOYSA-N
XLogP3.81
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[3-[2-(2,2,2-trichloroethyl)oxiran-2-yl]phenoxy]-1,2,5-thiadiazole
CID 139764598
4-chloro-2-ethyl-2-(3-fluorophenyl)oxane
CID 114872983
3-(3-fluorophenyl)oxetane-3-carbonitrile
CID 112707055
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
3,6-dichloro-2-[2-(2,2,2-trichloroethyl)oxiran-2-yl]pyridine
CID 13339635
2-benzyl-2-[[2-(3-chlorophenyl)oxiran-2-yl]methyl]propanedinitrile
CID 86187317
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
CID 84720738
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
[1-(3-fluorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353293
3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine
CID 133054743

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
The IUPAC name of 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane (CID 21440287) is 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane is Fc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
The InChIKey is DFRDIDKPEKVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3FO/c11-10(12,13)5-9(6-15-9)7-2-1-3-8(14)4-7/h1-4H,5-6H2.
What are the key properties of 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane?
2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane has a molecular weight of 269.53 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2,2,2-trichloroethyl)oxirane is sourced from PubChem (CID 21440287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).