2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene

C10H10BrClF2 — CID 119018255

IUPAC2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(CCCCl)c1Br
InChIInChI=1S/C10H10BrClF2/c11-9-7(4-2-6-12)3-1-5-8(9)10(13)14/h1,3,5,10H,2,4,6H2
InChIKeyOEYGOHWGPMSMQA-UHFFFAOYSA-N
MW283.54 g/mol
LogP4.56
Rot. Bonds4

About 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene

2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene (PubChem CID 119018255) has the molecular formula C10H10BrClF2 and a molecular weight of 283.54 g/mol. Its IUPAC name is 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene
PubChem CID119018255
Molecular FormulaC10H10BrClF2
Molecular Weight283.54 g/mol
Exact Mass281.96
IUPAC Name2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene
SMILESFC(F)c1cccc(CCCCl)c1Br
InChIInChI=1S/C10H10BrClF2/c11-9-7(4-2-6-12)3-1-5-8(9)10(13)14/h1,3,5,10H,2,4,6H2
InChIKeyOEYGOHWGPMSMQA-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 119016478
2-bromo-1-(3-chloropropyl)-3-iodobenzene
CID 118990354
1,2-dibromo-3-(difluoromethyl)benzene
CID 46311693
1-chloro-3-(3-chloropropyl)-2-fluorobenzene
CID 53434110
1-chloro-3-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 118802304
1-bromo-3-(3-chloropropyl)-2-(trifluoromethylsulfanyl)benzene
CID 134616553
(1R)-2-amino-1-[2-(3-chloropropyl)phenyl]ethanol
CID 54528476
2-bromo-1-[2-bromo-3-(difluoromethyl)phenoxy]-3-(difluoromethyl)benzene
CID 141467496
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
ethyl 2-bromo-3-(3-chloropropyl)benzoate
CID 134631896
2-[2-chloro-3-(3-chloropropyl)phenyl]-2-hydroxyacetic acid
CID 119007903
2-(3-bromopropyl)-6-(difluoromethyl)benzoic acid
CID 118819589

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene?
The IUPAC name of 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene (CID 119018255) is 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene is FC(F)c1cccc(CCCCl)c1Br.
What is the InChIKey of 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene?
The InChIKey is OEYGOHWGPMSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF2/c11-9-7(4-2-6-12)3-1-5-8(9)10(13)14/h1,3,5,10H,2,4,6H2.
What are the key properties of 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene?
2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene has a molecular weight of 283.54 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-chloropropyl)-3-(difluoromethyl)benzene is sourced from PubChem (CID 119018255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).