2-(trifluoromethyl)-1,3-dioxan-5-ol

C5H7F3O3 — CID 151166447

IUPAC2-(trifluoromethyl)-1,3-dioxan-5-ol
SMILESOC1COC(C(F)(F)F)OC1
InChIInChI=1S/C5H7F3O3/c6-5(7,8)4-10-1-3(9)2-11-4/h3-4,9H,1-2H2
InChIKeyNBIUDUPYNJRZAP-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.28
Rot. Bonds

About 2-(trifluoromethyl)-1,3-dioxan-5-ol

2-(trifluoromethyl)-1,3-dioxan-5-ol (PubChem CID 151166447) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-dioxan-5-ol
PubChem CID151166447
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2-(trifluoromethyl)-1,3-dioxan-5-ol
SMILESOC1COC(C(F)(F)F)OC1
InChIInChI=1S/C5H7F3O3/c6-5(7,8)4-10-1-3(9)2-11-4/h3-4,9H,1-2H2
InChIKeyNBIUDUPYNJRZAP-UHFFFAOYSA-N
XLogP0.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-dioxan-5-ol?
The IUPAC name of 2-(trifluoromethyl)-1,3-dioxan-5-ol (CID 151166447) is 2-(trifluoromethyl)-1,3-dioxan-5-ol.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-dioxan-5-ol?
The canonical SMILES for 2-(trifluoromethyl)-1,3-dioxan-5-ol is OC1COC(C(F)(F)F)OC1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-dioxan-5-ol?
The InChIKey is NBIUDUPYNJRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c6-5(7,8)4-10-1-3(9)2-11-4/h3-4,9H,1-2H2.
What are the key properties of 2-(trifluoromethyl)-1,3-dioxan-5-ol?
2-(trifluoromethyl)-1,3-dioxan-5-ol has a molecular weight of 172.10 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 151166447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).