2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane

C6H6F6O — CID 160792695

IUPAC2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC1(C)OC1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-3(2)5(9,13-3)4(7,8)6(10,11)12/h1-2H3
InChIKeyKLSVDNSQNUNLPP-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.66
Rot. Bonds1

About 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane

2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane (PubChem CID 160792695) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
PubChem CID160792695
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane
SMILESCC1(C)OC1(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F6O/c1-3(2)5(9,13-3)4(7,8)6(10,11)12/h1-2H3
InChIKeyKLSVDNSQNUNLPP-UHFFFAOYSA-N
XLogP2.66
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.66
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-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane with MolForge

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Launch Full Analysis

Related Compounds

2-Fluoro-2-(pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
CID 11449895
(2R)-2-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
CID 98115027
2-Fluoro-3-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 19067258
2-Fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane
CID 21406900
2-Ethyl-2-fluoro-3,3-dimethyloxirane
CID 23235445
2,3-Dimethyl-2,3-bis(trifluoromethyl)oxirane
CID 87246902
2-Ethyl-3,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 87247398
Argon;2-fluoro-2-methyl-3,3-bis(trifluoromethyl)oxirane
CID 88226734
(3S)-3-ethyl-2,2-bis(trifluoromethyl)oxirane
CID 89360611
2,3-Difluoro-2-(1,1,1,2-tetrafluoropropan-2-yl)-3-(trifluoromethyl)oxirane
CID 118020319
1,1,1,2,2,3,3-Heptafluoro-4-(1,1,1,2,3,3-hexafluorobutan-2-yloxy)-4-methylpentane
CID 126624614
2-Methyl-2-(2,2,3,3,3-pentafluoropropyl)oxirane
CID 140269809

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane (CID 160792695) is 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane is CC1(C)OC1(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
The InChIKey is KLSVDNSQNUNLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3(2)5(9,13-3)4(7,8)6(10,11)12/h1-2H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane?
2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane has a molecular weight of 208.10 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)oxirane is sourced from PubChem (CID 160792695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).