[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol

C11H19F3O3 — CID 66059231

IUPAC[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol
SMILESOCC1(CCCOCC(F)(F)F)CCCOC1
InChIInChI=1S/C11H19F3O3/c12-11(13,14)9-17-6-2-4-10(7-15)3-1-5-16-8-10/h15H,1-9H2
InChIKeySQLSCUHXQGJFPW-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.13
Rot. Bonds6

About [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol

[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol (PubChem CID 66059231) has the molecular formula C11H19F3O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol
PubChem CID66059231
Molecular FormulaC11H19F3O3
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol
SMILESOCC1(CCCOCC(F)(F)F)CCCOC1
InChIInChI=1S/C11H19F3O3/c12-11(13,14)9-17-6-2-4-10(7-15)3-1-5-16-8-10/h15H,1-9H2
InChIKeySQLSCUHXQGJFPW-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol?
The IUPAC name of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol (CID 66059231) is [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol.
What is the SMILES notation for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol?
The canonical SMILES for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol is OCC1(CCCOCC(F)(F)F)CCCOC1.
What is the InChIKey of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol?
The InChIKey is SQLSCUHXQGJFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3/c12-11(13,14)9-17-6-2-4-10(7-15)3-1-5-16-8-10/h15H,1-9H2.
What are the key properties of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol?
[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol has a molecular weight of 256.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanol is sourced from PubChem (CID 66059231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).