1-(2-bromoethyl)-3-ethyl-2-fluorobenzene

C10H12BrF — CID 130140887

IUPAC1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
SMILESCCc1cccc(CCBr)c1F
InChIInChI=1S/C10H12BrF/c1-2-8-4-3-5-9(6-7-11)10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyGRDHRPVBJHCPNZ-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.33
Rot. Bonds3

About 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene

1-(2-bromoethyl)-3-ethyl-2-fluorobenzene (PubChem CID 130140887) has the molecular formula C10H12BrF and a molecular weight of 231.11 g/mol. Its IUPAC name is 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
PubChem CID130140887
Molecular FormulaC10H12BrF
Molecular Weight231.11 g/mol
Exact Mass230.01
IUPAC Name1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
SMILESCCc1cccc(CCBr)c1F
InChIInChI=1S/C10H12BrF/c1-2-8-4-3-5-9(6-7-11)10(8)12/h3-5H,2,6-7H2,1H3
InChIKeyGRDHRPVBJHCPNZ-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.33
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

1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
(3-ethyl-2-fluorophenyl)hydrazine
CID 130780549
1,3-diethyl-2-iodobenzene
CID 18690512
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
(2-fluoro-3-propylphenyl)methanamine
CID 139576799
1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
CID 66729762
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
1-ethyl-2-fluoro-3-propan-2-ylbenzene
CID 54146426

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene?
The IUPAC name of 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene (CID 130140887) is 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene.
What is the SMILES notation for 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene?
The canonical SMILES for 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene is CCc1cccc(CCBr)c1F.
What is the InChIKey of 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene?
The InChIKey is GRDHRPVBJHCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF/c1-2-8-4-3-5-9(6-7-11)10(8)12/h3-5H,2,6-7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene?
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene has a molecular weight of 231.11 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-3-ethyl-2-fluorobenzene is sourced from PubChem (CID 130140887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).