(2R)-2-chloro-2-fluoro-1-phenylethanone

C8H6ClFO — CID 93494146

IUPAC(2R)-2-chloro-2-fluoro-1-phenylethanone
SMILESO=C(c1ccccc1)[C@H](F)Cl
InChIInChI=1S/C8H6ClFO/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H/t8-/m0/s1
InChIKeyIMKBIPXUOOABLE-QMMMGPOBSA-N
MW172.59 g/mol
LogP2.40
Rot. Bonds2

About (2R)-2-chloro-2-fluoro-1-phenylethanone

(2R)-2-chloro-2-fluoro-1-phenylethanone (PubChem CID 93494146) has the molecular formula C8H6ClFO and a molecular weight of 172.59 g/mol. Its IUPAC name is (2R)-2-chloro-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name(2R)-2-chloro-2-fluoro-1-phenylethanone
PubChem CID93494146
Molecular FormulaC8H6ClFO
Molecular Weight172.59 g/mol
Exact Mass172.01
IUPAC Name(2R)-2-chloro-2-fluoro-1-phenylethanone
SMILESO=C(c1ccccc1)[C@H](F)Cl
InChIInChI=1S/C8H6ClFO/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H/t8-/m0/s1
InChIKeyIMKBIPXUOOABLE-QMMMGPOBSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.40
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-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
2-fluoro-3-hydroxy-1-phenylpropan-1-one
CID 45080752
2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204
2,4-dichloro-1-phenylbutan-1-one
CID 19063902
2-fluoro-1-phenyl-2-phenylsulfanylethanone
CID 10037552
(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
CID 87812980
2,3-dichloro-1-phenylpentan-1-one
CID 140666488
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
(2R,3R)-2-chloro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15441495
N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
CID 93494428
2-bis(1,3-dioxo-1,3-diphenylpropan-2-yl)alumanyl-1,3-diphenylpropane-1,3-dione
CID 177391410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-fluoro-1-phenylethanone?
The IUPAC name of (2R)-2-chloro-2-fluoro-1-phenylethanone (CID 93494146) is (2R)-2-chloro-2-fluoro-1-phenylethanone.
What is the SMILES notation for (2R)-2-chloro-2-fluoro-1-phenylethanone?
The canonical SMILES for (2R)-2-chloro-2-fluoro-1-phenylethanone is O=C(c1ccccc1)[C@H](F)Cl.
What is the InChIKey of (2R)-2-chloro-2-fluoro-1-phenylethanone?
The InChIKey is IMKBIPXUOOABLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6ClFO/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H/t8-/m0/s1.
What are the key properties of (2R)-2-chloro-2-fluoro-1-phenylethanone?
(2R)-2-chloro-2-fluoro-1-phenylethanone has a molecular weight of 172.59 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-fluoro-1-phenylethanone is sourced from PubChem (CID 93494146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).