1-(3-bromopropyl)-2,3-difluorobenzene

C9H9BrF2 — CID 53433974

IUPAC1-(3-bromopropyl)-2,3-difluorobenzene
SMILESFc1cccc(CCCBr)c1F
InChIInChI=1S/C9H9BrF2/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1,3,5H,2,4,6H2
InChIKeyVSTFERLXUSIRBJ-UHFFFAOYSA-N
MW235.07 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-bromopropyl)-2,3-difluorobenzene

1-(3-bromopropyl)-2,3-difluorobenzene (PubChem CID 53433974) has the molecular formula C9H9BrF2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(3-bromopropyl)-2,3-difluorobenzene
PubChem CID53433974
Molecular FormulaC9H9BrF2
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name1-(3-bromopropyl)-2,3-difluorobenzene
SMILESFc1cccc(CCCBr)c1F
InChIInChI=1S/C9H9BrF2/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1,3,5H,2,4,6H2
InChIKeyVSTFERLXUSIRBJ-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 53.29
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

3-(3-bromopropyl)-2-fluorophenol
CID 131093499
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
CID 131342110
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
(2,3-difluorophenyl)methanamine
CID 2736941
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
1-(2-ethoxyethyl)-2,3-difluorobenzene
CID 57195328

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2,3-difluorobenzene?
The IUPAC name of 1-(3-bromopropyl)-2,3-difluorobenzene (CID 53433974) is 1-(3-bromopropyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(3-bromopropyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(3-bromopropyl)-2,3-difluorobenzene is Fc1cccc(CCCBr)c1F.
What is the InChIKey of 1-(3-bromopropyl)-2,3-difluorobenzene?
The InChIKey is VSTFERLXUSIRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2/c10-6-2-4-7-3-1-5-8(11)9(7)12/h1,3,5H,2,4,6H2.
What are the key properties of 1-(3-bromopropyl)-2,3-difluorobenzene?
1-(3-bromopropyl)-2,3-difluorobenzene has a molecular weight of 235.07 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2,3-difluorobenzene is sourced from PubChem (CID 53433974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).