4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene

C11H14BrFO — CID 118847164

IUPAC4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
SMILESCCOc1ccc(CCCBr)cc1F
InChIInChI=1S/C11H14BrFO/c1-2-14-11-6-5-9(4-3-7-12)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChIKeyKEBBLAJQZRWLNN-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.55
Rot. Bonds5

About 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene

4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene (PubChem CID 118847164) has the molecular formula C11H14BrFO and a molecular weight of 261.13 g/mol. Its IUPAC name is 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene.

Molecular Properties

Compound Name4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
PubChem CID118847164
Molecular FormulaC11H14BrFO
Molecular Weight261.13 g/mol
Exact Mass260.02
IUPAC Name4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
SMILESCCOc1ccc(CCCBr)cc1F
InChIInChI=1S/C11H14BrFO/c1-2-14-11-6-5-9(4-3-7-12)8-10(11)13/h5-6,8H,2-4,7H2,1H3
InChIKeyKEBBLAJQZRWLNN-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.55
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

5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
2-amino-5-(4-ethoxy-3-fluorophenyl)pentanoic acid
CID 115005524
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
4-butyl-2-fluoro-1-(methoxymethoxy)benzene
CID 58718899
1-ethoxy-2-fluoro-4-(2-isocyanatoethyl)benzene
CID 95440368
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene?
The IUPAC name of 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene (CID 118847164) is 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene.
What is the SMILES notation for 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene?
The canonical SMILES for 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene is CCOc1ccc(CCCBr)cc1F.
What is the InChIKey of 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene?
The InChIKey is KEBBLAJQZRWLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO/c1-2-14-11-6-5-9(4-3-7-12)8-10(11)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene?
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene has a molecular weight of 261.13 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene is sourced from PubChem (CID 118847164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).