1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone

C14H17FO3 — CID 62381911

IUPAC1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
SMILESO=C(COCC1CCOCC1)c1ccccc1F
InChIInChI=1S/C14H17FO3/c15-13-4-2-1-3-12(13)14(16)10-18-9-11-5-7-17-8-6-11/h1-4,11H,5-10H2
InChIKeyGFXLPHZXLPWWTK-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone

1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone (PubChem CID 62381911) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
PubChem CID62381911
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
SMILESO=C(COCC1CCOCC1)c1ccccc1F
InChIInChI=1S/C14H17FO3/c15-13-4-2-1-3-12(13)14(16)10-18-9-11-5-7-17-8-6-11/h1-4,11H,5-10H2
InChIKeyGFXLPHZXLPWWTK-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62382456
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
3-fluoro-2-(oxan-4-ylmethoxy)benzoic acid
CID 62650307
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
2-(oxan-4-ylmethoxymethyl)benzoic acid
CID 55134340
1-(3,4-difluorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977402
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
N'-methyl-2-(oxan-4-ylmethoxy)acetohydrazide
CID 116846813
2-but-3-enoxy-1-(2-fluorophenyl)ethanone
CID 62030066

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone (CID 62381911) is 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone is O=C(COCC1CCOCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone?
The InChIKey is GFXLPHZXLPWWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-13-4-2-1-3-12(13)14(16)10-18-9-11-5-7-17-8-6-11/h1-4,11H,5-10H2.
What are the key properties of 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone?
1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone has a molecular weight of 252.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone is sourced from PubChem (CID 62381911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).