(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone

C16H14BrFO — CID 107949654

IUPAC(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(Br)c2F)cc1
InChIInChI=1S/C16H14BrFO/c1-2-4-11-7-9-12(10-8-11)16(19)13-5-3-6-14(17)15(13)18/h3,5-10H,2,4H2,1H3
InChIKeyWQZKSDYSXGYQPW-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.77
Rot. Bonds4

About (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone

(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone (PubChem CID 107949654) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
PubChem CID107949654
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2cccc(Br)c2F)cc1
InChIInChI=1S/C16H14BrFO/c1-2-4-11-7-9-12(10-8-11)16(19)13-5-3-6-14(17)15(13)18/h3,5-10H,2,4H2,1H3
InChIKeyWQZKSDYSXGYQPW-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(4-butoxyphenyl)methanone
CID 106647389
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126
(3-amino-2-bromophenyl)-(4-propylphenyl)methanone
CID 113367205
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(2-iodo-3-methylphenyl)-(4-propylphenyl)methanone
CID 114029910
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
5-(3-bromo-2-fluorobenzoyl)furan-2-carboxylic acid
CID 107957479
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340
(3-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methanone
CID 107949876
(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethanone
CID 106647314

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone (CID 107949654) is (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2cccc(Br)c2F)cc1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone?
The InChIKey is WQZKSDYSXGYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-2-4-11-7-9-12(10-8-11)16(19)13-5-3-6-14(17)15(13)18/h3,5-10H,2,4H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone?
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone has a molecular weight of 321.19 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 107949654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).