2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid

C13H15FO2 — CID 78325099

IUPAC2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
SMILESCCC/C=C/c1ccc(F)c(CC(=O)O)c1
InChIInChI=1S/C13H15FO2/c1-2-3-4-5-10-6-7-12(14)11(8-10)9-13(15)16/h4-8H,2-3,9H2,1H3,(H,15,16)/b5-4+
InChIKeyFIZCBHGCXVVYGH-SNAWJCMRSA-N
MW222.26 g/mol
LogP3.27
Rot. Bonds5

About 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid

2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid (PubChem CID 78325099) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
PubChem CID78325099
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
SMILESCCC/C=C/c1ccc(F)c(CC(=O)O)c1
InChIInChI=1S/C13H15FO2/c1-2-3-4-5-10-6-7-12(14)11(8-10)9-13(15)16/h4-8H,2-3,9H2,1H3,(H,15,16)/b5-4+
InChIKeyFIZCBHGCXVVYGH-SNAWJCMRSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-5-(4-hydroxybut-1-enyl)phenyl]acetic acid
CID 170477059
2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
CID 169453752
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
CID 169464007
2-[5-(4-amino-4-oxobut-1-enyl)-2-fluorophenyl]acetic acid
CID 170798417
5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
CID 171372503
2-[2-fluoro-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]phenyl]acetic acid
CID 170494554
2-[4-(4-acetylsulfanylbut-1-enyl)-2-fluorophenyl]acetic acid
CID 170480631
S-[4-[4-fluoro-3-(hydroxymethyl)phenyl]but-3-enyl] ethanethioate
CID 170479991
1-bromo-2-fluoro-4-[(E)-pent-1-enyl]benzene
CID 151979932
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
3-[4-fluoro-3-[(hexanoylamino)methyl]phenyl]prop-2-enoic acid
CID 76907547
2-[3-[(E)-pent-1-enyl]-5-pentylphenyl]acetic acid
CID 153458828

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid (CID 78325099) is 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid is CCC/C=C/c1ccc(F)c(CC(=O)O)c1.
What is the InChIKey of 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid?
The InChIKey is FIZCBHGCXVVYGH-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H15FO2/c1-2-3-4-5-10-6-7-12(14)11(8-10)9-13(15)16/h4-8H,2-3,9H2,1H3,(H,15,16)/b5-4+.
What are the key properties of 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid?
2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid has a molecular weight of 222.26 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid is sourced from PubChem (CID 78325099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).