4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol

C10H12F8O3 — CID 139989487

IUPAC4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
SMILESOC(COCC1CO1)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F8O3/c11-7(12)9(15,16)10(17,18)8(13,14)1-5(19)2-20-3-6-4-21-6/h5-7,19H,1-4H2
InChIKeyCXYRHUYGHHZKHC-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.32
Rot. Bonds9

About 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol

4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol (PubChem CID 139989487) has the molecular formula C10H12F8O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
PubChem CID139989487
Molecular FormulaC10H12F8O3
Molecular Weight332.19 g/mol
Exact Mass332.07
IUPAC Name4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol
SMILESOC(COCC1CO1)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H12F8O3/c11-7(12)9(15,16)10(17,18)8(13,14)1-5(19)2-20-3-6-4-21-6/h5-7,19H,1-4H2
InChIKeyCXYRHUYGHHZKHC-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
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

6,6,7,7,8,8,9,9-octafluoro-1-(oxiran-2-ylmethoxy)nonan-2-ol
CID 139989468
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
4,4,5,5,6,6,7,7-octafluoro-2-(oxiran-2-ylmethoxy)heptan-1-ol
CID 139989514
(2R)-2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane
CID 97291003
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-(3,3,4,4,5,5,6,6-octafluorohexyl)oxirane
CID 123662716
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
2-(oxiran-2-ylmethoxy)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecoxy)propan-1-ol
CID 139989559
2-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctoxymethyl)oxirane
CID 22715504
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
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol?
The IUPAC name of 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol (CID 139989487) is 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol is OC(COCC1CO1)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol?
The InChIKey is CXYRHUYGHHZKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8O3/c11-7(12)9(15,16)10(17,18)8(13,14)1-5(19)2-20-3-6-4-21-6/h5-7,19H,1-4H2.
What are the key properties of 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol?
4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol has a molecular weight of 332.19 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7-octafluoro-1-(oxiran-2-ylmethoxy)heptan-2-ol is sourced from PubChem (CID 139989487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).