2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid

C14H14FNO2 — CID 84741842

IUPAC2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2[nH]c3c(F)cccc3c21
InChIInChI=1S/C14H14FNO2/c15-10-5-2-4-9-13-8(7-12(17)18)3-1-6-11(13)16-14(9)10/h2,4-5,8,16H,1,3,6-7H2,(H,17,18)
InChIKeyKGDXYGDUFFSWDS-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.20
Rot. Bonds2

About 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid

2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid (PubChem CID 84741842) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
PubChem CID84741842
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
SMILESO=C(O)CC1CCCc2[nH]c3c(F)cccc3c21
InChIInChI=1S/C14H14FNO2/c15-10-5-2-4-9-13-8(7-12(17)18)3-1-6-11(13)16-14(9)10/h2,4-5,8,16H,1,3,6-7H2,(H,17,18)
InChIKeyKGDXYGDUFFSWDS-UHFFFAOYSA-N
XLogP3.20
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
The IUPAC name of 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid (CID 84741842) is 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid.
What is the SMILES notation for 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
The canonical SMILES for 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid is O=C(O)CC1CCCc2[nH]c3c(F)cccc3c21.
What is the InChIKey of 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
The InChIKey is KGDXYGDUFFSWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-10-5-2-4-9-13-8(7-12(17)18)3-1-6-11(13)16-14(9)10/h2,4-5,8,16H,1,3,6-7H2,(H,17,18).
What are the key properties of 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid?
2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid has a molecular weight of 247.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid is sourced from PubChem (CID 84741842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).