1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane

C10H13F7O3 — CID 175116625

IUPAC1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10O3.C4H3F7/c1(5-3-8-5)7-2-6-4-9-6;1-2(5,6)3(7,8)4(9,10)11/h5-6H,1-4H2;1H3
InChIKeyCYGNWCCURKWWIN-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.64
Rot. Bonds5

About 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane

1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 175116625) has the molecular formula C10H13F7O3 and a molecular weight of 314.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID175116625
Molecular FormulaC10H13F7O3
Molecular Weight314.20 g/mol
Exact Mass314.08
IUPAC Name1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10O3.C4H3F7/c1(5-3-8-5)7-2-6-4-9-6;1-2(5,6)3(7,8)4(9,10)11/h5-6H,1-4H2;1H3
InChIKeyCYGNWCCURKWWIN-UHFFFAOYSA-N
XLogP2.64
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
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CID 141482094
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
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2-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentacosafluorooctadecoxymethyl)oxirane
CID 14877773
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 175116625) is 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is CYGNWCCURKWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H3F7/c1(5-3-8-5)7-2-6-4-9-6;1-2(5,6)3(7,8)4(9,10)11/h5-6H,1-4H2;1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane?
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 314.20 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 175116625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).