2,3,3-trifluoro-4,4-dimethyloxolan-2-ol

C6H9F3O2 — CID 164772515

IUPAC2,3,3-trifluoro-4,4-dimethyloxolan-2-ol
SMILESCC1(C)COC(O)(F)C1(F)F
InChIInChI=1S/C6H9F3O2/c1-4(2)3-11-6(9,10)5(4,7)8/h10H,3H2,1-2H3
InChIKeyIMTBGRBHOCSGHD-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.29
Rot. Bonds

About 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol

2,3,3-trifluoro-4,4-dimethyloxolan-2-ol (PubChem CID 164772515) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol.

Molecular Properties

Compound Name2,3,3-trifluoro-4,4-dimethyloxolan-2-ol
PubChem CID164772515
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2,3,3-trifluoro-4,4-dimethyloxolan-2-ol
SMILESCC1(C)COC(O)(F)C1(F)F
InChIInChI=1S/C6H9F3O2/c1-4(2)3-11-6(9,10)5(4,7)8/h10H,3H2,1-2H3
InChIKeyIMTBGRBHOCSGHD-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol?
The IUPAC name of 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol (CID 164772515) is 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol.
What is the SMILES notation for 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol?
The canonical SMILES for 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol is CC1(C)COC(O)(F)C1(F)F.
What is the InChIKey of 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol?
The InChIKey is IMTBGRBHOCSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-4(2)3-11-6(9,10)5(4,7)8/h10H,3H2,1-2H3.
What are the key properties of 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol?
2,3,3-trifluoro-4,4-dimethyloxolan-2-ol has a molecular weight of 170.13 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-4,4-dimethyloxolan-2-ol is sourced from PubChem (CID 164772515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).