[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol

C10H17F3O3 — CID 66024751

IUPAC[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol
SMILESOCC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3O3/c11-10(12,13)8-16-6-3-9(7-14)1-4-15-5-2-9/h14H,1-8H2
InChIKeyFCJIZZAHLCBNQE-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.74
Rot. Bonds5

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

[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol (PubChem CID 66024751) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol
PubChem CID66024751
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol
SMILESOCC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H17F3O3/c11-10(12,13)8-16-6-3-9(7-14)1-4-15-5-2-9/h14H,1-8H2
InChIKeyFCJIZZAHLCBNQE-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.74
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 [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol?
The IUPAC name of [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol (CID 66024751) is [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol is OCC1(CCOCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol?
The InChIKey is FCJIZZAHLCBNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O3/c11-10(12,13)8-16-6-3-9(7-14)1-4-15-5-2-9/h14H,1-8H2.
What are the key properties of [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol?
[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol has a molecular weight of 242.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanol is sourced from PubChem (CID 66024751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).