7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole

C13H14FN — CID 139234350

IUPAC7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1c(F)ccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H14FN/c1-8-11(14)7-6-10-9-4-2-3-5-12(9)15-13(8)10/h6-7,15H,2-5H2,1H3
InChIKeyIXXSTMOXHNDJIE-UHFFFAOYSA-N
MW203.26 g/mol
LogP3.49
Rot. Bonds

About 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole

7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 139234350) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID139234350
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1c(F)ccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C13H14FN/c1-8-11(14)7-6-10-9-4-2-3-5-12(9)15-13(8)10/h6-7,15H,2-5H2,1H3
InChIKeyIXXSTMOXHNDJIE-UHFFFAOYSA-N
XLogP3.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 55202057
7,8-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
CID 84622005
6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 114257890
5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382722
6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381864
8-ethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 21239685
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
6-bromo-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 104509007
7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 11708326
8-(difluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazole
CID 135002782
7-chloro-5-fluoro-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382713
4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107628071

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole (CID 139234350) is 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole is Cc1c(F)ccc2c3c([nH]c12)CCCC3.
What is the InChIKey of 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is IXXSTMOXHNDJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-8-11(14)7-6-10-9-4-2-3-5-12(9)15-13(8)10/h6-7,15H,2-5H2,1H3.
What are the key properties of 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole?
7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 203.26 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 139234350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).