5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one

C7H6F6O3 — CID 14811838

IUPAC5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one
SMILESO=C1OC(CO)CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6O3/c8-6(9,10)5(7(11,12)13)1-3(2-14)16-4(5)15/h3,14H,1-2H2
InChIKeyPODAFHVGRHLFOK-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.41
Rot. Bonds1

About 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one

5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one (PubChem CID 14811838) has the molecular formula C7H6F6O3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one
PubChem CID14811838
Molecular FormulaC7H6F6O3
Molecular Weight252.11 g/mol
Exact Mass252.02
IUPAC Name5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one
SMILESO=C1OC(CO)CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6O3/c8-6(9,10)5(7(11,12)13)1-3(2-14)16-4(5)15/h3,14H,1-2H2
InChIKeyPODAFHVGRHLFOK-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one?
The IUPAC name of 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one (CID 14811838) is 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one is O=C1OC(CO)CC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one?
The InChIKey is PODAFHVGRHLFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O3/c8-6(9,10)5(7(11,12)13)1-3(2-14)16-4(5)15/h3,14H,1-2H2.
What are the key properties of 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one?
5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one has a molecular weight of 252.11 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3,3-bis(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 14811838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).