9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

C15H16FNO2 — CID 82121618

IUPAC9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
SMILESCCn1c2c(c3cc(F)ccc31)CC(C(=O)O)CC2
InChIInChI=1S/C15H16FNO2/c1-2-17-13-5-3-9(15(18)19)7-11(13)12-8-10(16)4-6-14(12)17/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyGYIWMSOKPHUQOS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.99
Rot. Bonds2

About 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 82121618) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
PubChem CID82121618
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
SMILESCCn1c2c(c3cc(F)ccc31)CC(C(=O)O)CC2
InChIInChI=1S/C15H16FNO2/c1-2-17-13-5-3-9(15(18)19)7-11(13)12-8-10(16)4-6-14(12)17/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyGYIWMSOKPHUQOS-UHFFFAOYSA-N
XLogP2.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
2-[3-[(3Z,5Z,7Z)-2H-azocine-1-carbonyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 142758640
2-[3-(2,3-dihydroindole-1-carbonyl)-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358726
(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone
CID 84613151
6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 84612177
2-[3-[benzyl(2-phenylethyl)carbamoyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358648
methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613295
2-[(3R)-6-fluoro-3-[(2-phenylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024636
2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
CID 67204415
2-[(3S)-3-[ethyl(3-phenylpropanoyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024058

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (CID 82121618) is 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid is CCn1c2c(c3cc(F)ccc31)CC(C(=O)O)CC2.
What is the InChIKey of 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is GYIWMSOKPHUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-2-17-13-5-3-9(15(18)19)7-11(13)12-8-10(16)4-6-14(12)17/h4,6,8-9H,2-3,5,7H2,1H3,(H,18,19).
What are the key properties of 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 82121618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).