1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene

C10H11Br2FO — CID 118841697

IUPAC1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Br)cc(CCCBr)c1
InChIInChI=1S/C10H11Br2FO/c11-3-1-2-8-4-9(12)6-10(5-8)14-7-13/h4-6H,1-3,7H2
InChIKeyCKLGBFGNNGKPMR-UHFFFAOYSA-N
MW326.00 g/mol
LogP4.08
Rot. Bonds5

About 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene

1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene (PubChem CID 118841697) has the molecular formula C10H11Br2FO and a molecular weight of 326.00 g/mol. Its IUPAC name is 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene
PubChem CID118841697
Molecular FormulaC10H11Br2FO
Molecular Weight326.00 g/mol
Exact Mass323.92
IUPAC Name1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Br)cc(CCCBr)c1
InChIInChI=1S/C10H11Br2FO/c11-3-1-2-8-4-9(12)6-10(5-8)14-7-13/h4-6H,1-3,7H2
InChIKeyCKLGBFGNNGKPMR-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-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
CID 118802283
1-(3-bromopropyl)-3-(difluoromethoxy)-5-ethoxybenzene
CID 118802011
1-bromo-3-(3-bromopropyl)-5-(trifluoromethylsulfanyl)benzene
CID 118847353
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
4-[3-bromo-5-(cyclobutylmethoxy)phenyl]butan-1-amine
CID 117497336
1,3-dibromo-5-(3-iodopropyl)benzene
CID 22613629
1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
CID 119024034
1-bromo-3-chloro-5-(3-chloropropyl)benzene
CID 53403284
1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
5-(3-bromopropyl)-2-(difluoromethoxy)-1,3-difluorobenzene
CID 22913855
[3-bromo-5-(4-methylpentoxy)phenyl]methanamine
CID 102814559

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene?
The IUPAC name of 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene (CID 118841697) is 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene?
The canonical SMILES for 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene is FCOc1cc(Br)cc(CCCBr)c1.
What is the InChIKey of 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene?
The InChIKey is CKLGBFGNNGKPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2FO/c11-3-1-2-8-4-9(12)6-10(5-8)14-7-13/h4-6H,1-3,7H2.
What are the key properties of 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene?
1-bromo-3-(3-bromopropyl)-5-(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 1-bromo-3-(3-bromopropyl)-5-(fluoromethoxy)benzene is sourced from PubChem (CID 118841697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).