3-(3-bromopropyl)-2-fluorophenol

C9H10BrFO — CID 131093499

IUPAC3-(3-bromopropyl)-2-fluorophenol
SMILESOc1cccc(CCCBr)c1F
InChIInChI=1S/C9H10BrFO/c10-6-2-4-7-3-1-5-8(12)9(7)11/h1,3,5,12H,2,4,6H2
InChIKeyZUGKWMNMFVZLRX-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.86
Rot. Bonds3

About 3-(3-bromopropyl)-2-fluorophenol

3-(3-bromopropyl)-2-fluorophenol (PubChem CID 131093499) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 3-(3-bromopropyl)-2-fluorophenol.

Molecular Properties

Compound Name3-(3-bromopropyl)-2-fluorophenol
PubChem CID131093499
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name3-(3-bromopropyl)-2-fluorophenol
SMILESOc1cccc(CCCBr)c1F
InChIInChI=1S/C9H10BrFO/c10-6-2-4-7-3-1-5-8(12)9(7)11/h1,3,5,12H,2,4,6H2
InChIKeyZUGKWMNMFVZLRX-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
2-(3-bromopropyl)-5-(chloromethyl)phenol
CID 131308340
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
CID 131342110
[2-bromo-3-(3-bromopropyl)phenyl]methanol
CID 118993748
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
2-(3-bromopropyl)-5-chlorophenol
CID 118836469
2,3-difluoro-4-hexylphenol
CID 19910978
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropyl)-2-fluorophenol?
The IUPAC name of 3-(3-bromopropyl)-2-fluorophenol (CID 131093499) is 3-(3-bromopropyl)-2-fluorophenol.
What is the SMILES notation for 3-(3-bromopropyl)-2-fluorophenol?
The canonical SMILES for 3-(3-bromopropyl)-2-fluorophenol is Oc1cccc(CCCBr)c1F.
What is the InChIKey of 3-(3-bromopropyl)-2-fluorophenol?
The InChIKey is ZUGKWMNMFVZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c10-6-2-4-7-3-1-5-8(12)9(7)11/h1,3,5,12H,2,4,6H2.
What are the key properties of 3-(3-bromopropyl)-2-fluorophenol?
3-(3-bromopropyl)-2-fluorophenol has a molecular weight of 233.08 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)-2-fluorophenol is sourced from PubChem (CID 131093499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).