2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane

C10H8F12O — CID 173040236

IUPAC2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C10H8F12O/c1-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-3-23-4/h4H,2-3H2,1H3
InChIKeyROUYWOHSVLJKEA-UHFFFAOYSA-N
MW372.15 g/mol
LogP4.61
Rot. Bonds7

About 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane

2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane (PubChem CID 173040236) has the molecular formula C10H8F12O and a molecular weight of 372.15 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
PubChem CID173040236
Molecular FormulaC10H8F12O
Molecular Weight372.15 g/mol
Exact Mass372.04
IUPAC Name2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIInChI=1S/C10H8F12O/c1-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-3-23-4/h4H,2-3H2,1H3
InChIKeyROUYWOHSVLJKEA-UHFFFAOYSA-N
XLogP4.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.15
LogP ≤ 54.61
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'}

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Related Compounds

(2R)-2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
CID 89213921
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175116625
(2S)-2,3,3-trimethyl-1-[(2R)-oxiran-2-yl]butan-2-ol
CID 125461857
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
CID 91174488
(2S)-2-[2-methyl-2-[2-methyl-1-[(2S)-oxiran-2-yl]propan-2-yl]oxypropyl]oxirane
CID 87603297
2-[2-methyl-2-[2-methyl-1-(oxiran-2-yl)propan-2-yl]oxypropyl]oxirane
CID 23618197
2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 11045884

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane?
The IUPAC name of 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane (CID 173040236) is 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane?
The InChIKey is ROUYWOHSVLJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F12O/c1-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-3-23-4/h4H,2-3H2,1H3.
What are the key properties of 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane?
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane has a molecular weight of 372.15 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane is sourced from PubChem (CID 173040236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).