2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane

C9H6F12O — CID 146454393

IUPAC2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
SMILESCC1CC(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C9H6F12O/c1-3-2-4(7(13,14)15,8(16,17)18)6(12,22-3)5(10,11)9(19,20)21/h3H,2H2,1H3
InChIKeyHXWQEGKXRSIAPB-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.77
Rot. Bonds1

About 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane

2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane (PubChem CID 146454393) has the molecular formula C9H6F12O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
PubChem CID146454393
Molecular FormulaC9H6F12O
Molecular Weight358.12 g/mol
Exact Mass358.02
IUPAC Name2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
SMILESCC1CC(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C9H6F12O/c1-3-2-4(7(13,14)15,8(16,17)18)6(12,22-3)5(10,11)9(19,20)21/h3H,2H2,1H3
InChIKeyHXWQEGKXRSIAPB-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Furan, 2,2,3,3,4,4-hexafluorotetrahydro-5-(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-
CID 116761
2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 12626888
Ncfuemzhjcqqpd-uhfffaoysa-
CID 12672279
2-(1,1,1,2,3,4,4,4-Octafluorobutan-2-yl)oxolane
CID 13271513
2-Fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
CID 12730902
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
2,5-Diethyl-3,4-bis(trifluoromethyl)oxolane
CID 20771104
2,5-Diethyl-3-(trifluoromethyl)oxolane
CID 20771105
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)oxolane
CID 21967075
4-Ethyl-3,3-difluoro-2,4-dimethyl-2-(trifluoromethyl)oxolane
CID 57682174
4-Ethyl-3,3-difluoro-2-methyl-2,4-bis(trifluoromethyl)oxolane
CID 57682266
(5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58685987

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The IUPAC name of 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane (CID 146454393) is 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The canonical SMILES for 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane is CC1CC(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The InChIKey is HXWQEGKXRSIAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O/c1-3-2-4(7(13,14)15,8(16,17)18)6(12,22-3)5(10,11)9(19,20)21/h3H,2H2,1H3.
What are the key properties of 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane has a molecular weight of 358.12 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 146454393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).