[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol

C9H15F3O3 — CID 106706470

IUPAC[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol
SMILESOCC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H15F3O3/c10-9(11,12)7-15-6-8(5-13)1-3-14-4-2-8/h13H,1-7H2
InChIKeyWGQHGLSCKGEKIQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.35
Rot. Bonds4

About [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol

[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol (PubChem CID 106706470) has the molecular formula C9H15F3O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol
PubChem CID106706470
Molecular FormulaC9H15F3O3
Molecular Weight228.21 g/mol
Exact Mass228.10
IUPAC Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol
SMILESOCC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H15F3O3/c10-9(11,12)7-15-6-8(5-13)1-3-14-4-2-8/h13H,1-7H2
InChIKeyWGQHGLSCKGEKIQ-UHFFFAOYSA-N
XLogP1.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol (CID 106706470) is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol is OCC1(COCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol?
The InChIKey is WGQHGLSCKGEKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O3/c10-9(11,12)7-15-6-8(5-13)1-3-14-4-2-8/h13H,1-7H2.
What are the key properties of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol?
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol has a molecular weight of 228.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanol is sourced from PubChem (CID 106706470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).