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

C10H11Br2FO — CID 118802283

IUPAC2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
SMILESFCOc1ccc(CCCBr)cc1Br
InChIInChI=1S/C10H11Br2FO/c11-5-1-2-8-3-4-10(14-7-13)9(12)6-8/h3-4,6H,1-2,5,7H2
InChIKeySBKNASBZLDRFHR-UHFFFAOYSA-N
MW326.00 g/mol
LogP4.08
Rot. Bonds5

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

2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene (PubChem CID 118802283) has the molecular formula C10H11Br2FO and a molecular weight of 326.00 g/mol. Its IUPAC name is 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
PubChem CID118802283
Molecular FormulaC10H11Br2FO
Molecular Weight326.00 g/mol
Exact Mass323.92
IUPAC Name2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
SMILESFCOc1ccc(CCCBr)cc1Br
InChIInChI=1S/C10H11Br2FO/c11-5-1-2-8-3-4-10(14-7-13)9(12)6-8/h3-4,6H,1-2,5,7H2
InChIKeySBKNASBZLDRFHR-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.00
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,4-bis(fluoromethoxy)benzene
CID 150344358
1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
CID 119024034
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
3-bromo-4-(fluoromethoxy)aniline
CID 174521231
1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119025050
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
2-bromo-4-(4-bromobutyl)-1-fluorobenzene
CID 64506679
1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene
CID 118841697
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
3-[3-bromo-4-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 117457198
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene?
The IUPAC name of 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene (CID 118802283) is 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene?
The canonical SMILES for 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene is FCOc1ccc(CCCBr)cc1Br.
What is the InChIKey of 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene?
The InChIKey is SBKNASBZLDRFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2FO/c11-5-1-2-8-3-4-10(14-7-13)9(12)6-8/h3-4,6H,1-2,5,7H2.
What are the key properties of 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene?
2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene has a molecular weight of 326.00 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene is sourced from PubChem (CID 118802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).