2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane

C8H8F8O — CID 13271513

IUPAC2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane
SMILESFC(C(F)(F)F)C(F)(C1CCCO1)C(F)(F)F
InChIInChI=1S/C8H8F8O/c9-5(7(11,12)13)6(10,8(14,15)16)4-2-1-3-17-4/h4-5H,1-3H2
InChIKeyYGDATFDVQTVHSN-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.34
Rot. Bonds2

About 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane

2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane (PubChem CID 13271513) has the molecular formula C8H8F8O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane.

Molecular Properties

Compound Name2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane
PubChem CID13271513
Molecular FormulaC8H8F8O
Molecular Weight272.13 g/mol
Exact Mass272.04
IUPAC Name2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane
SMILESFC(C(F)(F)F)C(F)(C1CCCO1)C(F)(F)F
InChIInChI=1S/C8H8F8O/c9-5(7(11,12)13)6(10,8(14,15)16)4-2-1-3-17-4/h4-5H,1-3H2
InChIKeyYGDATFDVQTVHSN-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ncfuemzhjcqqpd-uhfffaoysa-
CID 12672279
2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxolane
CID 13451002
2-(2,2,3,4,4,5,5,5-Octafluoro-3-methylpentyl)oxirane
CID 19707550
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-(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxolane
CID 21810349
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)oxolane
CID 21967075
2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 23328478
3-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)oxolane
CID 53693161
1,1,2,3-Tetrafluoro-3-[(1,2,2,3,3,4,4,5-octafluorocyclopentyl)oxymethyl]cyclohexane
CID 58537736
(5R)-5-ethyl-3,3-difluoro-2,4-dimethyloxolane
CID 58685987

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane?
The IUPAC name of 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane (CID 13271513) is 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane.
What is the SMILES notation for 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane?
The canonical SMILES for 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane is FC(C(F)(F)F)C(F)(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane?
The InChIKey is YGDATFDVQTVHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O/c9-5(7(11,12)13)6(10,8(14,15)16)4-2-1-3-17-4/h4-5H,1-3H2.
What are the key properties of 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane?
2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane has a molecular weight of 272.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,4,4,4-octafluorobutan-2-yl)oxolane is sourced from PubChem (CID 13271513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).