3-(trifluoromethyl)oxan-4-ol

C6H9F3O2 — CID 142827024

IUPAC3-(trifluoromethyl)oxan-4-ol
SMILESOC1CCOCC1C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)4-3-11-2-1-5(4)10/h4-5,10H,1-3H2
InChIKeyBYPXIBAMLPEBJF-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.95
Rot. Bonds

About 3-(trifluoromethyl)oxan-4-ol

3-(trifluoromethyl)oxan-4-ol (PubChem CID 142827024) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)oxan-4-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)oxan-4-ol
PubChem CID142827024
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name3-(trifluoromethyl)oxan-4-ol
SMILESOC1CCOCC1C(F)(F)F
InChIInChI=1S/C6H9F3O2/c7-6(8,9)4-3-11-2-1-5(4)10/h4-5,10H,1-3H2
InChIKeyBYPXIBAMLPEBJF-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)oxan-4-ol?
The IUPAC name of 3-(trifluoromethyl)oxan-4-ol (CID 142827024) is 3-(trifluoromethyl)oxan-4-ol.
What is the SMILES notation for 3-(trifluoromethyl)oxan-4-ol?
The canonical SMILES for 3-(trifluoromethyl)oxan-4-ol is OC1CCOCC1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)oxan-4-ol?
The InChIKey is BYPXIBAMLPEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)4-3-11-2-1-5(4)10/h4-5,10H,1-3H2.
What are the key properties of 3-(trifluoromethyl)oxan-4-ol?
3-(trifluoromethyl)oxan-4-ol has a molecular weight of 170.13 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)oxan-4-ol is sourced from PubChem (CID 142827024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).