1-(1-bromopropyl)-3-fluorobenzene

C9H10BrF — CID 70101936

IUPAC1-(1-bromopropyl)-3-fluorobenzene
SMILESCCC(Br)c1cccc(F)c1
InChIInChI=1S/C9H10BrF/c1-2-9(10)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3
InChIKeyLDKRBQQZXTVDIV-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.67
Rot. Bonds2

About 1-(1-bromopropyl)-3-fluorobenzene

1-(1-bromopropyl)-3-fluorobenzene (PubChem CID 70101936) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 1-(1-bromopropyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(1-bromopropyl)-3-fluorobenzene
PubChem CID70101936
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name1-(1-bromopropyl)-3-fluorobenzene
SMILESCCC(Br)c1cccc(F)c1
InChIInChI=1S/C9H10BrF/c1-2-9(10)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3
InChIKeyLDKRBQQZXTVDIV-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 53.67
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-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871438
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-3-fluorobenzene?
The IUPAC name of 1-(1-bromopropyl)-3-fluorobenzene (CID 70101936) is 1-(1-bromopropyl)-3-fluorobenzene.
What is the SMILES notation for 1-(1-bromopropyl)-3-fluorobenzene?
The canonical SMILES for 1-(1-bromopropyl)-3-fluorobenzene is CCC(Br)c1cccc(F)c1.
What is the InChIKey of 1-(1-bromopropyl)-3-fluorobenzene?
The InChIKey is LDKRBQQZXTVDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c1-2-9(10)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3.
What are the key properties of 1-(1-bromopropyl)-3-fluorobenzene?
1-(1-bromopropyl)-3-fluorobenzene has a molecular weight of 217.08 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-3-fluorobenzene is sourced from PubChem (CID 70101936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).