1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C9H14F4O3 — CID 104753405

IUPAC1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C9H14F4O3/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h6-8,14H,1-5H2
InChIKeyCPJJBQHZCDZFER-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.30
Rot. Bonds6

About 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 104753405) has the molecular formula C9H14F4O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID104753405
Molecular FormulaC9H14F4O3
Molecular Weight246.20 g/mol
Exact Mass246.09
IUPAC Name1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C9H14F4O3/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h6-8,14H,1-5H2
InChIKeyCPJJBQHZCDZFER-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxan-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474954
2-(cyclopentylmethoxy)-1-(oxolan-3-yl)ethanol
CID 104753738
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473987
2-hexoxy-1-(oxolan-3-yl)ethanol
CID 104753611
2-(oxetan-3-yloxy)-1-(oxolan-3-yl)ethanol
CID 102607300
[1-(oxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217487
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1-(5-oxaspiro[3.5]nonan-8-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475216
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
[1-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477623

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 104753405) is 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is OC(COCC(F)(F)C(F)F)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is CPJJBQHZCDZFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O3/c10-8(11)9(12,13)5-16-4-7(14)6-1-2-15-3-6/h6-8,14H,1-5H2.
What are the key properties of 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 246.20 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 104753405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).