3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one

C10H9ClF2O2 — CID 175668326

IUPAC3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCCl)c1ccccc1OC(F)F
InChIInChI=1S/C10H9ClF2O2/c11-6-5-8(14)7-3-1-2-4-9(7)15-10(12)13/h1-4,10H,5-6H2
InChIKeyKZWZKHJLENQMMX-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.10
Rot. Bonds5

About 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one

3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one (PubChem CID 175668326) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
PubChem CID175668326
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCCl)c1ccccc1OC(F)F
InChIInChI=1S/C10H9ClF2O2/c11-6-5-8(14)7-3-1-2-4-9(7)15-10(12)13/h1-4,10H,5-6H2
InChIKeyKZWZKHJLENQMMX-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.10
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

1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
1-[5-amino-2-(difluoromethoxy)phenyl]-3-chloropropan-1-one
CID 118824570
2-(2,5-dichlorophenyl)-1-[2-(difluoromethoxy)phenyl]ethanone
CID 115736583
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
CID 114969252
N-(1-chloro-3-methylbutan-2-yl)-2-(difluoromethoxy)benzamide
CID 113273535
[2-(4-chlorophenyl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327319
2-[2-(difluoromethoxy)benzoyl]propanedinitrile
CID 112732107
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65309961
benzyl 2-(difluoromethoxy)benzoate
CID 55327292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one (CID 175668326) is 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one is O=C(CCCl)c1ccccc1OC(F)F.
What is the InChIKey of 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one?
The InChIKey is KZWZKHJLENQMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c11-6-5-8(14)7-3-1-2-4-9(7)15-10(12)13/h1-4,10H,5-6H2.
What are the key properties of 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one?
3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one has a molecular weight of 234.63 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(difluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 175668326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).