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

C17H16ClFO — CID 22116378

IUPAC(4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Cl)cc2F)cc1CC
InChIInChI=1S/C17H16ClFO/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10H,3-4H2,1-2H3
InChIKeyBDZVAIHDQJAVIE-UHFFFAOYSA-N
MW290.77 g/mol
LogP4.83
Rot. Bonds4

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

(4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone (PubChem CID 22116378) has the molecular formula C17H16ClFO and a molecular weight of 290.77 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone
PubChem CID22116378
Molecular FormulaC17H16ClFO
Molecular Weight290.77 g/mol
Exact Mass290.09
IUPAC Name(4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Cl)cc2F)cc1CC
InChIInChI=1S/C17H16ClFO/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10H,3-4H2,1-2H3
InChIKeyBDZVAIHDQJAVIE-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 ≤ 500290.77
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone (CID 22116378) is (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(Cl)cc2F)cc1CC.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone?
The InChIKey is BDZVAIHDQJAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO/c1-3-11-5-6-13(9-12(11)4-2)17(20)15-8-7-14(18)10-16(15)19/h5-10H,3-4H2,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone?
(4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone has a molecular weight of 290.77 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 (4-chloro-2-fluorophenyl)-(3,4-diethylphenyl)methanone is sourced from PubChem (CID 22116378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).