3-(fluoromethyl)-1H-indole-5-carboxylic acid

C10H8FNO2 — CID 84664507

IUPAC3-(fluoromethyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CF)c2c1
InChIInChI=1S/C10H8FNO2/c11-4-7-5-12-9-2-1-6(10(13)14)3-8(7)9/h1-3,5,12H,4H2,(H,13,14)
InChIKeyKUJTUYVOBVOJPY-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.34
Rot. Bonds2

About 3-(fluoromethyl)-1H-indole-5-carboxylic acid

3-(fluoromethyl)-1H-indole-5-carboxylic acid (PubChem CID 84664507) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-(fluoromethyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(fluoromethyl)-1H-indole-5-carboxylic acid
PubChem CID84664507
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name3-(fluoromethyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(CF)c2c1
InChIInChI=1S/C10H8FNO2/c11-4-7-5-12-9-2-1-6(10(13)14)3-8(7)9/h1-3,5,12H,4H2,(H,13,14)
InChIKeyKUJTUYVOBVOJPY-UHFFFAOYSA-N
XLogP2.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
3-(methoxymethyl)-1H-indole-5-carboxylic acid
CID 117175321
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
3-(2-amino-2-carboxyethyl)-1H-indole-5-carboxylic acid
CID 22669189
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
3-(3-cyanopropyl)-1H-indole-5-carboxylic acid
CID 71661534
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[(6-nitro-1H-indol-3-yl)methyl]-1H-indole-5-carboxylic acid
CID 166517326
3,4-bis(fluoromethyl)benzoic acid
CID 67445489
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
4-(fluoromethyl)-3-methylbenzoic acid
CID 91883690

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(fluoromethyl)-1H-indole-5-carboxylic acid (CID 84664507) is 3-(fluoromethyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(fluoromethyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(fluoromethyl)-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(CF)c2c1.
What is the InChIKey of 3-(fluoromethyl)-1H-indole-5-carboxylic acid?
The InChIKey is KUJTUYVOBVOJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-4-7-5-12-9-2-1-6(10(13)14)3-8(7)9/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 3-(fluoromethyl)-1H-indole-5-carboxylic acid?
3-(fluoromethyl)-1H-indole-5-carboxylic acid has a molecular weight of 193.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 84664507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).