(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane

C7F14O — CID 175884602

IUPAC(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7F14O/c8-1(5(14,15)16)2(9,10)4(13,22-7(1,20)21)3(11,12)6(17,18)19/t1-,4+/m1/s1
InChIKeyBFQPNGYOXAHQEC-HDEYOGFKSA-N
MW366.05 g/mol
LogP4.38
Rot. Bonds1

About (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane

(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane (PubChem CID 175884602) has the molecular formula C7F14O and a molecular weight of 366.05 g/mol. Its IUPAC name is (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
PubChem CID175884602
Molecular FormulaC7F14O
Molecular Weight366.05 g/mol
Exact Mass365.97
IUPAC Name(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C7F14O/c8-1(5(14,15)16)2(9,10)4(13,22-7(1,20)21)3(11,12)6(17,18)19/t1-,4+/m1/s1
InChIKeyBFQPNGYOXAHQEC-HDEYOGFKSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane?
The IUPAC name of (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane (CID 175884602) is (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane.
What is the SMILES notation for (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane?
The canonical SMILES for (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane is FC(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F.
What is the InChIKey of (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane?
The InChIKey is BFQPNGYOXAHQEC-HDEYOGFKSA-N. The full InChI is InChI=1S/C7F14O/c8-1(5(14,15)16)2(9,10)4(13,22-7(1,20)21)3(11,12)6(17,18)19/t1-,4+/m1/s1.
What are the key properties of (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane?
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane has a molecular weight of 366.05 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane is sourced from PubChem (CID 175884602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).