1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene

C10H11Br2F — CID 119024034

IUPAC1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
SMILESFCc1cc(CCCBr)ccc1Br
InChIInChI=1S/C10H11Br2F/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h3-4,6H,1-2,5,7H2
InChIKeyRRLXVDOEORRBHR-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.25
Rot. Bonds4

About 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene

1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene (PubChem CID 119024034) has the molecular formula C10H11Br2F and a molecular weight of 310.00 g/mol. Its IUPAC name is 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
PubChem CID119024034
Molecular FormulaC10H11Br2F
Molecular Weight310.00 g/mol
Exact Mass307.92
IUPAC Name1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
SMILESFCc1cc(CCCBr)ccc1Br
InChIInChI=1S/C10H11Br2F/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h3-4,6H,1-2,5,7H2
InChIKeyRRLXVDOEORRBHR-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
CID 118802283
1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119025050
2-bromo-4-(4-bromobutyl)-1-fluorobenzene
CID 64506679
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
4-(3-bromopropyl)-2-ethyl-1-iodobenzene
CID 118835842
4-(3-bromopropyl)-2-(chloromethyl)-1-methylbenzene
CID 131431431
4-bromo-3-(3-bromopropyl)benzenethiol
CID 118817232
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
2-bromo-4-(3-bromopropyl)benzoyl chloride
CID 134619218
4-(3-bromopropyl)-2-(chloromethyl)-1-(trifluoromethylsulfanyl)benzene
CID 134628653
1-bromo-2-(3-bromopropyl)-4-(trifluoromethoxy)benzene
CID 118800457
2-bromo-1-(3-bromopropyl)-4-fluorobenzene
CID 62604582

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene?
The IUPAC name of 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene (CID 119024034) is 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene?
The canonical SMILES for 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene is FCc1cc(CCCBr)ccc1Br.
What is the InChIKey of 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene?
The InChIKey is RRLXVDOEORRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h3-4,6H,1-2,5,7H2.
What are the key properties of 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene?
1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene has a molecular weight of 310.00 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene is sourced from PubChem (CID 119024034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).