9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

C20H18FNO2 — CID 84612310

IUPAC9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1c(n2Cc2ccccc2F)CCCC1
InChIInChI=1S/C20H18FNO2/c21-17-7-3-1-5-14(17)12-22-18-8-4-2-6-15(18)16-11-13(20(23)24)9-10-19(16)22/h1,3,5,7,9-11H,2,4,6,8,12H2,(H,23,24)
InChIKeyWWOJZNXQGGWQDN-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.41
Rot. Bonds3

About 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 84612310) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
PubChem CID84612310
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c1c(n2Cc2ccccc2F)CCCC1
InChIInChI=1S/C20H18FNO2/c21-17-7-3-1-5-14(17)12-22-18-8-4-2-6-15(18)16-11-13(20(23)24)9-10-19(16)22/h1,3,5,7,9-11H,2,4,6,8,12H2,(H,23,24)
InChIKeyWWOJZNXQGGWQDN-UHFFFAOYSA-N
XLogP4.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.41
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

5-[(2-fluorophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 44564616
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83948273
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789636
9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 80502747
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612231
9-[(2-carboxy-6-methoxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-2-carboxylic acid;9-[(2-carboxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 177008886
6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 94674833

Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (CID 84612310) is 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is O=C(O)c1ccc2c(c1)c1c(n2Cc2ccccc2F)CCCC1.
What is the InChIKey of 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is WWOJZNXQGGWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c21-17-7-3-1-5-14(17)12-22-18-8-4-2-6-15(18)16-11-13(20(23)24)9-10-19(16)22/h1,3,5,7,9-11H,2,4,6,8,12H2,(H,23,24).
What are the key properties of 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 84612310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).