4-ethoxy-2-(4-fluorophenyl)oxane

C13H17FO2 — CID 163836652

IUPAC4-ethoxy-2-(4-fluorophenyl)oxane
SMILESCCOC1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FO2/c1-2-15-12-7-8-16-13(9-12)10-3-5-11(14)6-4-10/h3-6,12-13H,2,7-9H2,1H3
InChIKeyOIIDESSUJKNLGI-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.08
Rot. Bonds3

About 4-ethoxy-2-(4-fluorophenyl)oxane

4-ethoxy-2-(4-fluorophenyl)oxane (PubChem CID 163836652) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)oxane.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)oxane
PubChem CID163836652
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name4-ethoxy-2-(4-fluorophenyl)oxane
SMILESCCOC1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FO2/c1-2-15-12-7-8-16-13(9-12)10-3-5-11(14)6-4-10/h3-6,12-13H,2,7-9H2,1H3
InChIKeyOIIDESSUJKNLGI-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide
CID 146094637
[(2S,4R)-2-(4-chlorophenyl)oxan-4-yl] acetate
CID 16735602
[5-(4-fluorophenyl)oxolan-3-yl]methanol
CID 13151493
2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine
CID 79978003
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane
CID 67957771
(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine
CID 129358384
2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
CID 59790559
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide
CID 125137543
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-4-pyrrol-1-ylbutanamide
CID 129471608
2-(4-cyclopropylphenyl)-N-methyloxan-4-amine
CID 79977889
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)oxane?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)oxane (CID 163836652) is 4-ethoxy-2-(4-fluorophenyl)oxane.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)oxane?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)oxane is CCOC1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)oxane?
The InChIKey is OIIDESSUJKNLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-15-12-7-8-16-13(9-12)10-3-5-11(14)6-4-10/h3-6,12-13H,2,7-9H2,1H3.
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)oxane?
4-ethoxy-2-(4-fluorophenyl)oxane has a molecular weight of 224.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)oxane is sourced from PubChem (CID 163836652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).