(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone

C16H13ClF2O — CID 107475846

IUPAC(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(F)c(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H13ClF2O/c1-8-4-9(2)15(10(3)5-8)16(20)11-6-13(18)14(19)7-12(11)17/h4-7H,1-3H3
InChIKeyMMAYZDWQOWQBPW-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.77
Rot. Bonds2

About (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone

(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 107475846) has the molecular formula C16H13ClF2O and a molecular weight of 294.73 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID107475846
Molecular FormulaC16H13ClF2O
Molecular Weight294.73 g/mol
Exact Mass294.06
IUPAC Name(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(F)c(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H13ClF2O/c1-8-4-9(2)15(10(3)5-8)16(20)11-6-13(18)14(19)7-12(11)17/h4-7H,1-3H3
InChIKeyMMAYZDWQOWQBPW-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
(4-bromo-2-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337541
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone (CID 107475846) is (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cc(F)c(F)cc2Cl)c(C)c1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is MMAYZDWQOWQBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O/c1-8-4-9(2)15(10(3)5-8)16(20)11-6-13(18)14(19)7-12(11)17/h4-7H,1-3H3.
What are the key properties of (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone?
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 294.73 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 107475846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).