3-(3-bromophenyl)-2-fluorobutanoic acid

C10H10BrFO2 — CID 130820150

IUPAC3-(3-bromophenyl)-2-fluorobutanoic acid
SMILESCC(c1cccc(Br)c1)C(F)C(=O)O
InChIInChI=1S/C10H10BrFO2/c1-6(9(12)10(13)14)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,13,14)
InChIKeyIRNXQJFTWVALDZ-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.98
Rot. Bonds3

About 3-(3-bromophenyl)-2-fluorobutanoic acid

3-(3-bromophenyl)-2-fluorobutanoic acid (PubChem CID 130820150) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-fluorobutanoic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-fluorobutanoic acid
PubChem CID130820150
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name3-(3-bromophenyl)-2-fluorobutanoic acid
SMILESCC(c1cccc(Br)c1)C(F)C(=O)O
InChIInChI=1S/C10H10BrFO2/c1-6(9(12)10(13)14)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,13,14)
InChIKeyIRNXQJFTWVALDZ-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
2-[amino-(3-bromophenyl)methyl]-3-methylbutanoic acid
CID 116945232
1-(3-bromophenyl)-1-fluoropropan-2-one
CID 89296594
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
3-[1-(3-bromophenyl)ethylamino]-2-methylbutanoic acid
CID 79391958
methyl 3-(3-bromophenyl)-2-nitrobutanoate
CID 18383999
2-(3-bromophenyl)pentan-3-ol
CID 79298699

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-fluorobutanoic acid?
The IUPAC name of 3-(3-bromophenyl)-2-fluorobutanoic acid (CID 130820150) is 3-(3-bromophenyl)-2-fluorobutanoic acid.
What is the SMILES notation for 3-(3-bromophenyl)-2-fluorobutanoic acid?
The canonical SMILES for 3-(3-bromophenyl)-2-fluorobutanoic acid is CC(c1cccc(Br)c1)C(F)C(=O)O.
What is the InChIKey of 3-(3-bromophenyl)-2-fluorobutanoic acid?
The InChIKey is IRNXQJFTWVALDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-6(9(12)10(13)14)7-3-2-4-8(11)5-7/h2-6,9H,1H3,(H,13,14).
What are the key properties of 3-(3-bromophenyl)-2-fluorobutanoic acid?
3-(3-bromophenyl)-2-fluorobutanoic acid has a molecular weight of 261.09 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-fluorobutanoic acid is sourced from PubChem (CID 130820150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).