(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone

C15H11ClF2O — CID 107998445

IUPAC(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11ClF2O/c1-8-5-11(17)6-9(2)14(8)15(19)10-3-4-12(16)13(18)7-10/h3-7H,1-2H3
InChIKeyNZICVIXKHGSOEP-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.47
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone

(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone (PubChem CID 107998445) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
PubChem CID107998445
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11ClF2O/c1-8-5-11(17)6-9(2)14(8)15(19)10-3-4-12(16)13(18)7-10/h3-7H,1-2H3
InChIKeyNZICVIXKHGSOEP-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
4-chloro-3-fluorobenzoic acid
CID 2736536
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
CID 107996346
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone (CID 107998445) is (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone is Cc1cc(F)cc(C)c1C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The InChIKey is NZICVIXKHGSOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O/c1-8-5-11(17)6-9(2)14(8)15(19)10-3-4-12(16)13(18)7-10/h3-7H,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone has a molecular weight of 280.70 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 107998445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).