2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane

C8H8F8O — CID 123662716

IUPAC2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CCC1CO1
InChIInChI=1S/C8H8F8O/c9-5(10)7(13,14)8(15,16)6(11,12)2-1-4-3-17-4/h4-5H,1-3H2
InChIKeySGVFQFYVRYIINO-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.34
Rot. Bonds6

About 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane

2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane (PubChem CID 123662716) has the molecular formula C8H8F8O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane.

Molecular Properties

Compound Name2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane
PubChem CID123662716
Molecular FormulaC8H8F8O
Molecular Weight272.13 g/mol
Exact Mass272.04
IUPAC Name2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CCC1CO1
InChIInChI=1S/C8H8F8O/c9-5(10)7(13,14)8(15,16)6(11,12)2-1-4-3-17-4/h4-5H,1-3H2
InChIKeySGVFQFYVRYIINO-UHFFFAOYSA-N
XLogP3.34
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane 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

2-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl]oxirane
CID 139918549
6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
CID 139989468
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003
4,4,5,5,6,6,7,7-octafluoro-2-(oxiran-2-ylmethoxy)heptan-1-ol
CID 139989514
4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
CID 139989487
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
CID 22715504
2-(fluoromethyl)oxirane;2-(2,3,3,4,4,5,5,6,6,7,7-undecafluoroheptyl)oxirane
CID 159749836
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576
2-[[1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989518
2-(oxiran-2-ylmethoxy)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-tetracosafluorotetradecoxy)propan-1-ol
CID 139989574
1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
CID 2775883
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane?
The IUPAC name of 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane (CID 123662716) is 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane.
What is the SMILES notation for 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane?
The canonical SMILES for 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane is FC(F)C(F)(F)C(F)(F)C(F)(F)CCC1CO1.
What is the InChIKey of 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane?
The InChIKey is SGVFQFYVRYIINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8O/c9-5(10)7(13,14)8(15,16)6(11,12)2-1-4-3-17-4/h4-5H,1-3H2.
What are the key properties of 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane?
2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane has a molecular weight of 272.13 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane is sourced from PubChem (CID 123662716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).