1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one

C15H18F2O3 — CID 43798954

IUPAC1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCCO1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2O3/c1-10(20-9-12-4-2-3-7-19-12)15(18)11-5-6-13(16)14(17)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeySBNYXSZVYSVITM-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.12
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one

1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one (PubChem CID 43798954) has the molecular formula C15H18F2O3 and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
PubChem CID43798954
Molecular FormulaC15H18F2O3
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
SMILESCC(OCC1CCCCO1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2O3/c1-10(20-9-12-4-2-3-7-19-12)15(18)11-5-6-13(16)14(17)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeySBNYXSZVYSVITM-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798905
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2R)-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95154419
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
1-(3,4-difluorophenyl)-2-hexoxypropan-1-one
CID 43800697
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
oxan-2-ylmethyl 3-amino-4-fluorobenzoate
CID 61279862

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one (CID 43798954) is 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one is CC(OCC1CCCCO1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
The InChIKey is SBNYXSZVYSVITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O3/c1-10(20-9-12-4-2-3-7-19-12)15(18)11-5-6-13(16)14(17)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one?
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one has a molecular weight of 284.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 43798954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).