2-(3,3,3-trifluoropropyl)oxan-4-ol

C8H13F3O2 — CID 123196737

IUPAC2-(3,3,3-trifluoropropyl)oxan-4-ol
SMILESOC1CCOC(CCC(F)(F)F)C1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)3-1-7-5-6(12)2-4-13-7/h6-7,12H,1-5H2
InChIKeySJMMYFTVZMUMKX-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.87
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)oxan-4-ol

2-(3,3,3-trifluoropropyl)oxan-4-ol (PubChem CID 123196737) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)oxan-4-ol.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)oxan-4-ol
PubChem CID123196737
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name2-(3,3,3-trifluoropropyl)oxan-4-ol
SMILESOC1CCOC(CCC(F)(F)F)C1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)3-1-7-5-6(12)2-4-13-7/h6-7,12H,1-5H2
InChIKeySJMMYFTVZMUMKX-UHFFFAOYSA-N
XLogP1.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)oxan-4-ol?
The IUPAC name of 2-(3,3,3-trifluoropropyl)oxan-4-ol (CID 123196737) is 2-(3,3,3-trifluoropropyl)oxan-4-ol.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)oxan-4-ol?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)oxan-4-ol is OC1CCOC(CCC(F)(F)F)C1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)oxan-4-ol?
The InChIKey is SJMMYFTVZMUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c9-8(10,11)3-1-7-5-6(12)2-4-13-7/h6-7,12H,1-5H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)oxan-4-ol?
2-(3,3,3-trifluoropropyl)oxan-4-ol has a molecular weight of 198.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)oxan-4-ol is sourced from PubChem (CID 123196737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).