(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole

C14H16FN — CID 158248898

IUPAC(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc(F)c2[nH]c3c(c12)CC[C@H](C)C3
InChIInChI=1S/C14H16FN/c1-8-3-5-10-12(7-8)16-14-11(15)6-4-9(2)13(10)14/h4,6,8,16H,3,5,7H2,1-2H3/t8-/m0/s1
InChIKeyGGLSUVUGZRNKEA-QMMMGPOBSA-N
MW217.29 g/mol
LogP3.74
Rot. Bonds

About (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole

(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 158248898) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID158248898
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCc1ccc(F)c2[nH]c3c(c12)CC[C@H](C)C3
InChIInChI=1S/C14H16FN/c1-8-3-5-10-12(7-8)16-14-11(15)6-4-9(2)13(10)14/h4,6,8,16H,3,5,7H2,1-2H3/t8-/m0/s1
InChIKeyGGLSUVUGZRNKEA-QMMMGPOBSA-N
XLogP3.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 146300112
2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335539
2-methyl-2,3,4,5,6,9-hexahydro-1H-carbazole
CID 89395387
6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene
CID 21032941
2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
CID 130393656
7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 139234350
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839
3-[4-(3,5-dichlorophenoxy)phenyl]-2,7-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168796535
8-bromo-7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 156888488
1-(4-fluoro-3-methylphenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812686
1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943341
N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512835

Frequently Asked Questions

What is the IUPAC name of (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole (CID 158248898) is (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole is Cc1ccc(F)c2[nH]c3c(c12)CC[C@H](C)C3.
What is the InChIKey of (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is GGLSUVUGZRNKEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16FN/c1-8-3-5-10-12(7-8)16-14-11(15)6-4-9(2)13(10)14/h4,6,8,16H,3,5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole?
(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 217.29 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 158248898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).