4-(3-bromophenyl)-2-fluorobutanoic acid

C10H10BrFO2 — CID 84729589

IUPAC4-(3-bromophenyl)-2-fluorobutanoic acid
SMILESO=C(O)C(F)CCc1cccc(Br)c1
InChIInChI=1S/C10H10BrFO2/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,6,9H,4-5H2,(H,13,14)
InChIKeyYPKUOHYUNYBBCX-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.80
Rot. Bonds4

About 4-(3-bromophenyl)-2-fluorobutanoic acid

4-(3-bromophenyl)-2-fluorobutanoic acid (PubChem CID 84729589) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-fluorobutanoic acid.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-fluorobutanoic acid
PubChem CID84729589
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name4-(3-bromophenyl)-2-fluorobutanoic acid
SMILESO=C(O)C(F)CCc1cccc(Br)c1
InChIInChI=1S/C10H10BrFO2/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,6,9H,4-5H2,(H,13,14)
InChIKeyYPKUOHYUNYBBCX-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(3-methylphenyl)butanoic acid
CID 84720725
1-bromo-3-(3-fluorobutyl)benzene
CID 84694256
4-(4-bromophenyl)-2-fluorobutanoic acid
CID 84729590
2-amino-5-(3-bromophenyl)pentanoic acid
CID 83664408
1-bromo-3-(3-fluoro-4-iodobutyl)benzene
CID 57435882
2-[(3-bromophenyl)methyl]-4,4-difluorobutanoic acid
CID 79419133
4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine
CID 84730321
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
3-(3-bromophenyl)propanamide
CID 20823841
3-(3-bromophenyl)propanoyl chloride
CID 12607235
2-(3-bromophenyl)ethanol
CID 2734090
1-(3-bromophenyl)-4-methylpentan-3-one
CID 43175847

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-fluorobutanoic acid?
The IUPAC name of 4-(3-bromophenyl)-2-fluorobutanoic acid (CID 84729589) is 4-(3-bromophenyl)-2-fluorobutanoic acid.
What is the SMILES notation for 4-(3-bromophenyl)-2-fluorobutanoic acid?
The canonical SMILES for 4-(3-bromophenyl)-2-fluorobutanoic acid is O=C(O)C(F)CCc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-fluorobutanoic acid?
The InChIKey is YPKUOHYUNYBBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,6,9H,4-5H2,(H,13,14).
What are the key properties of 4-(3-bromophenyl)-2-fluorobutanoic acid?
4-(3-bromophenyl)-2-fluorobutanoic acid has a molecular weight of 261.09 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-fluorobutanoic acid is sourced from PubChem (CID 84729589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).