methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

C17H20FNO2 — CID 84613295

IUPACmethyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)C1CCc2c(c3cc(F)ccc3n2C(C)C)C1
InChIInChI=1S/C17H20FNO2/c1-10(2)19-15-6-4-11(17(20)21-3)8-13(15)14-9-12(18)5-7-16(14)19/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyCMXDTWBKTQQRQR-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.64
Rot. Bonds2

About methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate (PubChem CID 84613295) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
PubChem CID84613295
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Namemethyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)C1CCc2c(c3cc(F)ccc3n2C(C)C)C1
InChIInChI=1S/C17H20FNO2/c1-10(2)19-15-6-4-11(17(20)21-3)8-13(15)14-9-12(18)5-7-16(14)19/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyCMXDTWBKTQQRQR-UHFFFAOYSA-N
XLogP3.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613304
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613299
2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
CID 67204415
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
CID 99996425
2-[6-fluoro-3-[methyl(3-phenylpropanoyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67207218
2-[(3S)-6-fluoro-3-[3-(3-methoxyphenyl)propanoyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205669
2-[6-fluoro-3-[(2-phenoxyacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204857
2-[3-[(2-chlorophenyl)methylcarbamoyl-methylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206636

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate (CID 84613295) is methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate is COC(=O)C1CCc2c(c3cc(F)ccc3n2C(C)C)C1.
What is the InChIKey of methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The InChIKey is CMXDTWBKTQQRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10(2)19-15-6-4-11(17(20)21-3)8-13(15)14-9-12(18)5-7-16(14)19/h5,7,9-11H,4,6,8H2,1-3H3.
What are the key properties of methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate has a molecular weight of 289.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 84613295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).