2-(2-fluoro-3-pentylphenyl)acetic acid

C13H17FO2 — CID 78325101

IUPAC2-(2-fluoro-3-pentylphenyl)acetic acid
SMILESCCCCCc1cccc(CC(=O)O)c1F
InChIInChI=1S/C13H17FO2/c1-2-3-4-6-10-7-5-8-11(13(10)14)9-12(15)16/h5,7-8H,2-4,6,9H2,1H3,(H,15,16)
InChIKeyUVLYZXAZFBJMQP-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.19
Rot. Bonds6

About 2-(2-fluoro-3-pentylphenyl)acetic acid

2-(2-fluoro-3-pentylphenyl)acetic acid (PubChem CID 78325101) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-fluoro-3-pentylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-pentylphenyl)acetic acid
PubChem CID78325101
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-(2-fluoro-3-pentylphenyl)acetic acid
SMILESCCCCCc1cccc(CC(=O)O)c1F
InChIInChI=1S/C13H17FO2/c1-2-3-4-6-10-7-5-8-11(13(10)14)9-12(15)16/h5,7-8H,2-4,6,9H2,1H3,(H,15,16)
InChIKeyUVLYZXAZFBJMQP-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-(2-methylpropyl)-3-pentylbenzene
CID 173291771
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
2,3-difluoro-4-pentylbenzoic acid
CID 19103630
1-bromo-2-fluoro-3-octylbenzene
CID 155052803
10-[2-(9-carboxynonyl)-3-pentylphenyl]decanoic acid
CID 152622243
10-[2-(9-carboxynonyl)-3-heptylphenyl]decanoic acid
CID 151550347
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
fluorobenzene;2-pentylbenzoic acid
CID 174772828
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-(2-fluoro-3-hydroxyphenyl)acetic acid
CID 23074563
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-pentylphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-3-pentylphenyl)acetic acid (CID 78325101) is 2-(2-fluoro-3-pentylphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-3-pentylphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-3-pentylphenyl)acetic acid is CCCCCc1cccc(CC(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-3-pentylphenyl)acetic acid?
The InChIKey is UVLYZXAZFBJMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-3-4-6-10-7-5-8-11(13(10)14)9-12(15)16/h5,7-8H,2-4,6,9H2,1H3,(H,15,16).
What are the key properties of 2-(2-fluoro-3-pentylphenyl)acetic acid?
2-(2-fluoro-3-pentylphenyl)acetic acid has a molecular weight of 224.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-pentylphenyl)acetic acid is sourced from PubChem (CID 78325101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).