2-chloro-1,2-bis(3-fluorophenyl)ethanone

C14H9ClF2O — CID 21408832

IUPAC2-chloro-1,2-bis(3-fluorophenyl)ethanone
SMILESO=C(c1cccc(F)c1)C(Cl)c1cccc(F)c1
InChIInChI=1S/C14H9ClF2O/c15-13(9-3-1-5-11(16)7-9)14(18)10-4-2-6-12(17)8-10/h1-8,13H
InChIKeyKVYYZABCEZGMBJ-UHFFFAOYSA-N
MW266.67 g/mol
LogP4.13
Rot. Bonds3

About 2-chloro-1,2-bis(3-fluorophenyl)ethanone

2-chloro-1,2-bis(3-fluorophenyl)ethanone (PubChem CID 21408832) has the molecular formula C14H9ClF2O and a molecular weight of 266.67 g/mol. Its IUPAC name is 2-chloro-1,2-bis(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1,2-bis(3-fluorophenyl)ethanone
PubChem CID21408832
Molecular FormulaC14H9ClF2O
Molecular Weight266.67 g/mol
Exact Mass266.03
IUPAC Name2-chloro-1,2-bis(3-fluorophenyl)ethanone
SMILESO=C(c1cccc(F)c1)C(Cl)c1cccc(F)c1
InChIInChI=1S/C14H9ClF2O/c15-13(9-3-1-5-11(16)7-9)14(18)10-4-2-6-12(17)8-10/h1-8,13H
InChIKeyKVYYZABCEZGMBJ-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 54.13
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

2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
CID 81242654
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
1-(3-bromo-4-fluorophenyl)-2-chloro-2-phenylethanone
CID 107957005
3-[amino-(3-fluorophenyl)methyl]benzoic acid
CID 116938725
3-fluorobenzoyl bromide
CID 20822510
2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
2-chloro-1-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 82875870
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2-bis(3-fluorophenyl)ethanone?
The IUPAC name of 2-chloro-1,2-bis(3-fluorophenyl)ethanone (CID 21408832) is 2-chloro-1,2-bis(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-chloro-1,2-bis(3-fluorophenyl)ethanone?
The canonical SMILES for 2-chloro-1,2-bis(3-fluorophenyl)ethanone is O=C(c1cccc(F)c1)C(Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-1,2-bis(3-fluorophenyl)ethanone?
The InChIKey is KVYYZABCEZGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O/c15-13(9-3-1-5-11(16)7-9)14(18)10-4-2-6-12(17)8-10/h1-8,13H.
What are the key properties of 2-chloro-1,2-bis(3-fluorophenyl)ethanone?
2-chloro-1,2-bis(3-fluorophenyl)ethanone has a molecular weight of 266.67 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2-bis(3-fluorophenyl)ethanone is sourced from PubChem (CID 21408832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).