2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane

C9H6F12O — CID 19067255

IUPAC2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
SMILESCC(F)(C(F)(F)F)C1(F)OC1(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F12O/c1-3(10,8(16,17)18)7(15)4(2,22-7)5(11,12)6(13,14)9(19,20)21/h1-2H3
InChIKeySRTYJSTYMCHXTN-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.56
Rot. Bonds3

About 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane

2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane (PubChem CID 19067255) has the molecular formula C9H6F12O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
PubChem CID19067255
Molecular FormulaC9H6F12O
Molecular Weight358.12 g/mol
Exact Mass358.02
IUPAC Name2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane
SMILESCC(F)(C(F)(F)F)C1(F)OC1(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F12O/c1-3(10,8(16,17)18)7(15)4(2,22-7)5(11,12)6(13,14)9(19,20)21/h1-2H3
InChIKeySRTYJSTYMCHXTN-UHFFFAOYSA-N
XLogP4.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.56
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'}

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Related Compounds

3,4-Epoxyperfluoro-2,4-dimethylheptane
CID 13331366
2,3,3-Trimethyl-2-(3,3,3-trifluoropropyl)oxirane
CID 10607497
2,2,3-Tris(fluoromethyl)-3-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxirane
CID 156778736
1,1,1,2,3,3-Hexafluoro-5-methyl-5-(trifluoromethoxy)heptane
CID 162347469
2,2,3-Trimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxirane
CID 10693306
2-Ethyl-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,3-bis(trifluoromethyl)oxirane
CID 150195721

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
The IUPAC name of 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane (CID 19067255) is 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane.
What is the SMILES notation for 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
The canonical SMILES for 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane is CC(F)(C(F)(F)F)C1(F)OC1(C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
The InChIKey is SRTYJSTYMCHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O/c1-3(10,8(16,17)18)7(15)4(2,22-7)5(11,12)6(13,14)9(19,20)21/h1-2H3.
What are the key properties of 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane?
2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane has a molecular weight of 358.12 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methyl-2-(1,1,1,2-tetrafluoropropan-2-yl)oxirane is sourced from PubChem (CID 19067255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).