ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

C15H15ClFNO2 — CID 24800969

IUPACethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESCCOC(=O)C1CCCc2c1[nH]c1cc(F)c(Cl)cc21
InChIInChI=1S/C15H15ClFNO2/c1-2-20-15(19)9-5-3-4-8-10-6-11(16)12(17)7-13(10)18-14(8)9/h6-7,9,18H,2-5H2,1H3
InChIKeyMVPVKIWBOMXTSA-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.94
Rot. Bonds2

About ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (PubChem CID 24800969) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
PubChem CID24800969
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Nameethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESCCOC(=O)C1CCCc2c1[nH]c1cc(F)c(Cl)cc21
InChIInChI=1S/C15H15ClFNO2/c1-2-20-15(19)9-5-3-4-8-10-6-11(16)12(17)7-13(10)18-14(8)9/h6-7,9,18H,2-5H2,1H3
InChIKeyMVPVKIWBOMXTSA-UHFFFAOYSA-N
XLogP3.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11855333
7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 24800976
ethyl 6-morpholin-4-yl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11652799
(8R)-8-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 6945046
ethyl 1-(2-chloro-4-methylphenyl)-6,7-difluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 145074617
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
6-chloro-N-(dimethylaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3459836
ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 26342306
ethyl (1R)-2-[(4-chlorobenzoyl)hydrazinylidene]cyclopentane-1-carboxylate
CID 129439843
(1S)-6-chloro-5-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 70308607
ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate
CID 905333

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The IUPAC name of ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (CID 24800969) is ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.
What is the SMILES notation for ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The canonical SMILES for ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is CCOC(=O)C1CCCc2c1[nH]c1cc(F)c(Cl)cc21.
What is the InChIKey of ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The InChIKey is MVPVKIWBOMXTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-2-20-15(19)9-5-3-4-8-10-6-11(16)12(17)7-13(10)18-14(8)9/h6-7,9,18H,2-5H2,1H3.
What are the key properties of ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate has a molecular weight of 295.74 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-7-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is sourced from PubChem (CID 24800969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).