2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid

C17H14FNO2 — CID 2774436

IUPAC2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H14FNO2/c18-14-7-5-12(6-8-14)10-19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,11H,9-10H2,(H,20,21)
InChIKeyMSECUWYFWKAGLD-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.46
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid

2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid (PubChem CID 2774436) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid
PubChem CID2774436
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C17H14FNO2/c18-14-7-5-12(6-8-14)10-19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,11H,9-10H2,(H,20,21)
InChIKeyMSECUWYFWKAGLD-UHFFFAOYSA-N
XLogP3.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid (CID 2774436) is 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid is O=C(O)Cc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid?
The InChIKey is MSECUWYFWKAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-14-7-5-12(6-8-14)10-19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid?
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid has a molecular weight of 283.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid is sourced from PubChem (CID 2774436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).