2-(trifluoromethyl)oxan-2-ol

C6H9F3O2 — CID 11159565

IUPAC2-(trifluoromethyl)oxan-2-ol
SMILESOC1(C(F)(F)F)CCCCO1
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5(10)3-1-2-4-11-5/h10H,1-4H2
InChIKeyYUYKMSIPSNGTIR-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.44
Rot. Bonds

About 2-(trifluoromethyl)oxan-2-ol

2-(trifluoromethyl)oxan-2-ol (PubChem CID 11159565) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)oxan-2-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)oxan-2-ol
PubChem CID11159565
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2-(trifluoromethyl)oxan-2-ol
SMILESOC1(C(F)(F)F)CCCCO1
InChIInChI=1S/C6H9F3O2/c7-6(8,9)5(10)3-1-2-4-11-5/h10H,1-4H2
InChIKeyYUYKMSIPSNGTIR-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)oxan-2-ol?
The IUPAC name of 2-(trifluoromethyl)oxan-2-ol (CID 11159565) is 2-(trifluoromethyl)oxan-2-ol.
What is the SMILES notation for 2-(trifluoromethyl)oxan-2-ol?
The canonical SMILES for 2-(trifluoromethyl)oxan-2-ol is OC1(C(F)(F)F)CCCCO1.
What is the InChIKey of 2-(trifluoromethyl)oxan-2-ol?
The InChIKey is YUYKMSIPSNGTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)5(10)3-1-2-4-11-5/h10H,1-4H2.
What are the key properties of 2-(trifluoromethyl)oxan-2-ol?
2-(trifluoromethyl)oxan-2-ol has a molecular weight of 170.13 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)oxan-2-ol is sourced from PubChem (CID 11159565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).