3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one

C15H11ClF2O2 — CID 21322566

IUPAC3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
SMILESO=C(CCCl)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H11ClF2O2/c16-8-7-14(19)10-1-4-12(5-2-10)20-15-6-3-11(17)9-13(15)18/h1-6,9H,7-8H2
InChIKeyHBDRLIHTCCZFFM-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.57
Rot. Bonds5

About 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one

3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one (PubChem CID 21322566) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
PubChem CID21322566
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
SMILESO=C(CCCl)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H11ClF2O2/c16-8-7-14(19)10-1-4-12(5-2-10)20-15-6-3-11(17)9-13(15)18/h1-6,9H,7-8H2
InChIKeyHBDRLIHTCCZFFM-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
CID 56788122
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
CID 58187299
3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
CID 54201051
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
CID 43313468
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
CID 120659467
1-(3,4-dichlorophenyl)-2-[3-fluoro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 158849133
3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine
CID 54389174

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one?
The IUPAC name of 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one (CID 21322566) is 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one?
The canonical SMILES for 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one is O=C(CCCl)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one?
The InChIKey is HBDRLIHTCCZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c16-8-7-14(19)10-1-4-12(5-2-10)20-15-6-3-11(17)9-13(15)18/h1-6,9H,7-8H2.
What are the key properties of 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one?
3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one has a molecular weight of 296.70 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one is sourced from PubChem (CID 21322566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).