(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone

C8H5Cl2FO — CID 93494356

IUPAC(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
SMILESO=C(c1ccc(Cl)cc1)[C@H](F)Cl
InChIInChI=1S/C8H5Cl2FO/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H/t8-/m0/s1
InChIKeyOGBGPZHQNCMSEK-QMMMGPOBSA-N
MW207.03 g/mol
LogP3.06
Rot. Bonds2

About (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone

(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone (PubChem CID 93494356) has the molecular formula C8H5Cl2FO and a molecular weight of 207.03 g/mol. Its IUPAC name is (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone.

Molecular Properties

Compound Name(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
PubChem CID93494356
Molecular FormulaC8H5Cl2FO
Molecular Weight207.03 g/mol
Exact Mass205.97
IUPAC Name(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
SMILESO=C(c1ccc(Cl)cc1)[C@H](F)Cl
InChIInChI=1S/C8H5Cl2FO/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H/t8-/m0/s1
InChIKeyOGBGPZHQNCMSEK-QMMMGPOBSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
2,3-dibromo-1,4-bis(4-chlorophenyl)butane-1,4-dione
CID 12544461
2-chloro-1-(4-chlorophenyl)-2-nitrosoethanone
CID 91247722
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
3,4-bis(4-chlorobenzoyl)hexane-2,5-dione
CID 46243237
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
1-(4-chlorophenyl)-3,3-difluoro-2-methylbutan-1-one
CID 130605207
methyl 2-chloro-3-(4-chlorophenyl)-3-oxopropanoate
CID 82479665
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
4-chloro-5-(4-chlorophenyl)-5-oxopentanoic acid
CID 82121551
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761
4-chloro(13C)benzoic acid
CID 66995527

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone?
The IUPAC name of (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone (CID 93494356) is (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone.
What is the SMILES notation for (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone?
The canonical SMILES for (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone is O=C(c1ccc(Cl)cc1)[C@H](F)Cl.
What is the InChIKey of (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone?
The InChIKey is OGBGPZHQNCMSEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H5Cl2FO/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H/t8-/m0/s1.
What are the key properties of (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone?
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone has a molecular weight of 207.03 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone is sourced from PubChem (CID 93494356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).