2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane

C8F16O — CID 87423130

IUPAC2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C8F16O/c9-2(10,3(11,12)4(13,14)7(19,20)21)1(6(16,17)18)5(15,25-1)8(22,23)24
InChIKeyHQQPFHQKNWIMIH-UHFFFAOYSA-N
MW416.06 g/mol
LogP5.01
Rot. Bonds3

About 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane

2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane (PubChem CID 87423130) has the molecular formula C8F16O and a molecular weight of 416.06 g/mol. Its IUPAC name is 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane
PubChem CID87423130
Molecular FormulaC8F16O
Molecular Weight416.06 g/mol
Exact Mass415.97
IUPAC Name2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C8F16O/c9-2(10,3(11,12)4(13,14)7(19,20)21)1(6(16,17)18)5(15,25-1)8(22,23)24
InChIKeyHQQPFHQKNWIMIH-UHFFFAOYSA-N
XLogP5.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.06
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane with MolForge

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Related Compounds

3,4-Epoxyperfluoro-2,4-dimethylheptane
CID 13331366
Perfluorobutylmethyloxirane
CID 129770857
2,3-Bis(trifluoromethyl)-2,3-bis(pentafluoroethyl)oxirane
CID 13172582
1,1,2,2,3,3,4,4,5,5-Decafluoro-6-(1,1,2,2,2-pentafluoroethoxy)-6-(trifluoromethyl)cyclohexane
CID 88353536
1,1,2,2,3,3,4,4,5,5-Decafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-(trifluoromethyl)cyclohexane
CID 88354595
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)-2,3,3-tris(trifluoromethyl)oxirane
CID 88593677
2,3-Difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-5-(trifluoromethyl)decyl]-3-(trifluoromethyl)oxirane
CID 139811181
2,3-Difluoro-2-[1,1,2,2,3,3,4,4,5,6,6,7,7,8,8,8-hexadecafluoro-5-(trifluoromethyl)octyl]-3-(trifluoromethyl)oxirane
CID 139811184
2,3-Difluoro-2-[1,1,2,2,3,4,4,4-octafluoro-3-(trifluoromethyl)butyl]-3-(trifluoromethyl)oxirane
CID 141755350
2-Fluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3,3-bis(trifluoromethyl)oxirane
CID 155670092
1,1,1,2,2,3,3,4,4,6,6,7,7,7-Tetradecafluoro-5-(1,1,2,2,2-pentafluoroethyl)-5-[1,1,1,2,2,4,4,5,5,6,6,7,7,7-tetradecafluoro-3-(1,1,2,2,2-pentafluoroethyl)heptan-3-yl]oxyheptane
CID 155674139
Perfluoro-2-methyl-2,3-di(propan-2-yl)oxirane
CID 165360433

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane (CID 87423130) is 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is HQQPFHQKNWIMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16O/c9-2(10,3(11,12)4(13,14)7(19,20)21)1(6(16,17)18)5(15,25-1)8(22,23)24.
What are the key properties of 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane?
2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 416.06 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 87423130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).