3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane

C10H12F8O — CID 101115660

IUPAC3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
SMILESCC1COCC1CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F8O/c1-5-3-19-4-6(5)2-8(13,14)10(17,18)9(15,16)7(11)12/h5-7H,2-4H2,1H3
InChIKeyACPHJJCMHGDCRO-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.83
Rot. Bonds5

About 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane

3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane (PubChem CID 101115660) has the molecular formula C10H12F8O and a molecular weight of 300.19 g/mol. Its IUPAC name is 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane.

Molecular Properties

Compound Name3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
PubChem CID101115660
Molecular FormulaC10H12F8O
Molecular Weight300.19 g/mol
Exact Mass300.08
IUPAC Name3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
SMILESCC1COCC1CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F8O/c1-5-3-19-4-6(5)2-8(13,14)10(17,18)9(15,16)7(11)12/h5-7H,2-4H2,1H3
InChIKeyACPHJJCMHGDCRO-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.83
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

3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane
CID 2775160
3-(Iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 11124432
3-Methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
CID 10424752
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
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
3-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)oxolane
CID 53693161
12-(1,1,2,2-Tetrafluoroethoxymethyl)pentacosane
CID 53946168

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane?
The IUPAC name of 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane (CID 101115660) is 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane.
What is the SMILES notation for 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane?
The canonical SMILES for 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane is CC1COCC1CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane?
The InChIKey is ACPHJJCMHGDCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8O/c1-5-3-19-4-6(5)2-8(13,14)10(17,18)9(15,16)7(11)12/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane?
3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane has a molecular weight of 300.19 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane is sourced from PubChem (CID 101115660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).