2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid

C15H14F3NO2 — CID 154108491

IUPAC2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid
SMILESO=C(O)CC1CCc2c([nH]c3ccc(C(F)(F)F)cc23)C1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)9-2-4-12-11(7-9)10-3-1-8(6-14(20)21)5-13(10)19-12/h2,4,7-8,19H,1,3,5-6H2,(H,20,21)
InChIKeyXZMMLSPXNHWGGX-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.77
Rot. Bonds2

About 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid

2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid (PubChem CID 154108491) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid
PubChem CID154108491
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid
SMILESO=C(O)CC1CCc2c([nH]c3ccc(C(F)(F)F)cc23)C1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)9-2-4-12-11(7-9)10-3-1-8(6-14(20)21)5-13(10)19-12/h2,4,7-8,19H,1,3,5-6H2,(H,20,21)
InChIKeyXZMMLSPXNHWGGX-UHFFFAOYSA-N
XLogP3.77
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.77
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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Related Compounds

2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid
CID 71384182
2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methyl]propanedioic acid
CID 23463663
N-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]formamide
CID 3127171
[3-amino-6-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]methanol
CID 69130167
2-[6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 118467823
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452714
3-ethyl-10-(trifluoromethyl)-1,2,4,5,6,7-hexahydroazocino[5,4-b]indole
CID 164872566
(2R)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 86330440
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698
2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 22490524
4-[2-[9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]oxane-4-carboxylic acid
CID 142896685

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid?
The IUPAC name of 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid (CID 154108491) is 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid is O=C(O)CC1CCc2c([nH]c3ccc(C(F)(F)F)cc23)C1.
What is the InChIKey of 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid?
The InChIKey is XZMMLSPXNHWGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)9-2-4-12-11(7-9)10-3-1-8(6-14(20)21)5-13(10)19-12/h2,4,7-8,19H,1,3,5-6H2,(H,20,21).
What are the key properties of 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid?
2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid has a molecular weight of 297.28 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazol-2-yl]acetic acid is sourced from PubChem (CID 154108491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).