(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone

C17H16ClFO — CID 115481855

IUPAC(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(F)cccc2Cl)cc1CC
InChIInChI=1S/C17H16ClFO/c1-3-11-8-9-13(10-12(11)4-2)17(20)16-14(18)6-5-7-15(16)19/h5-10H,3-4H2,1-2H3
InChIKeyPZQXJUUOOBLEJE-UHFFFAOYSA-N
MW290.76 g/mol
LogP4.83
Rot. Bonds4

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

(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone (PubChem CID 115481855) has the molecular formula C17H16ClFO and a molecular weight of 290.76 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
PubChem CID115481855
Molecular FormulaC17H16ClFO
Molecular Weight290.76 g/mol
Exact Mass290.09
IUPAC Name(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(F)cccc2Cl)cc1CC
InChIInChI=1S/C17H16ClFO/c1-3-11-8-9-13(10-12(11)4-2)17(20)16-14(18)6-5-7-15(16)19/h5-10H,3-4H2,1-2H3
InChIKeyPZQXJUUOOBLEJE-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
propyl 2-chloro-6-fluorobenzoate
CID 43389524
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone (CID 115481855) is (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone is CCc1ccc(C(=O)c2c(F)cccc2Cl)cc1CC.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone?
The InChIKey is PZQXJUUOOBLEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-3-11-8-9-13(10-12(11)4-2)17(20)16-14(18)6-5-7-15(16)19/h5-10H,3-4H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone?
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone has a molecular weight of 290.76 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone is sourced from PubChem (CID 115481855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).