2-(bromomethyl)-1,3-difluoro-5-propylbenzene

C10H11BrF2 — CID 142578213

IUPAC2-(bromomethyl)-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(CBr)c(F)c1
InChIInChI=1S/C10H11BrF2/c1-2-3-7-4-9(12)8(6-11)10(13)5-7/h4-5H,2-3,6H2,1H3
InChIKeyNHMJSNJVUQDQRG-UHFFFAOYSA-N
MW249.10 g/mol
LogP3.81
Rot. Bonds3

About 2-(bromomethyl)-1,3-difluoro-5-propylbenzene

2-(bromomethyl)-1,3-difluoro-5-propylbenzene (PubChem CID 142578213) has the molecular formula C10H11BrF2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-difluoro-5-propylbenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1,3-difluoro-5-propylbenzene
PubChem CID142578213
Molecular FormulaC10H11BrF2
Molecular Weight249.10 g/mol
Exact Mass248.00
IUPAC Name2-(bromomethyl)-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(CBr)c(F)c1
InChIInChI=1S/C10H11BrF2/c1-2-3-7-4-9(12)8(6-11)10(13)5-7/h4-5H,2-3,6H2,1H3
InChIKeyNHMJSNJVUQDQRG-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 53.81
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-6-fluoro-4-propylphenol
CID 69428563
2,6-difluoro-4-propylaniline
CID 19781718
2,3-difluoro-5-propylphenol;ethane
CID 143889142
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
2-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758585
2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
CID 20705700
(2,6-difluoro-4-propylphenyl)boronic acid
CID 19783701
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592
2-(difluoromethoxy)-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]-2,6-difluorophenyl]ethyl]-1,3-difluorobenzene
CID 139758517
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-difluoro-5-propylbenzene?
The IUPAC name of 2-(bromomethyl)-1,3-difluoro-5-propylbenzene (CID 142578213) is 2-(bromomethyl)-1,3-difluoro-5-propylbenzene.
What is the SMILES notation for 2-(bromomethyl)-1,3-difluoro-5-propylbenzene?
The canonical SMILES for 2-(bromomethyl)-1,3-difluoro-5-propylbenzene is CCCc1cc(F)c(CBr)c(F)c1.
What is the InChIKey of 2-(bromomethyl)-1,3-difluoro-5-propylbenzene?
The InChIKey is NHMJSNJVUQDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2/c1-2-3-7-4-9(12)8(6-11)10(13)5-7/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(bromomethyl)-1,3-difluoro-5-propylbenzene?
2-(bromomethyl)-1,3-difluoro-5-propylbenzene has a molecular weight of 249.10 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 142578213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).