6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C13H13F3N2O — CID 137385078

IUPAC6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESNC1CCCc2c1[nH]c1ccc(OC(F)(F)F)cc21
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)19-7-4-5-11-9(6-7)8-2-1-3-10(17)12(8)18-11/h4-6,10,18H,1-3,17H2
InChIKeyAXMQQYGDUMLKBR-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.40
Rot. Bonds1

About 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 137385078) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID137385078
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESNC1CCCc2c1[nH]c1ccc(OC(F)(F)F)cc21
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)19-7-4-5-11-9(6-7)8-2-1-3-10(17)12(8)18-11/h4-6,10,18H,1-3,17H2
InChIKeyAXMQQYGDUMLKBR-UHFFFAOYSA-N
XLogP3.40
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 71738002
N-[(4-bromophenyl)methyl]-6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 139026770
(8-amino-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanol
CID 153493829
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carbaldehyde
CID 146605589
8-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 142652454
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 146600149
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
N-[4-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 46276106
7-methoxy-3-nitroso-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 54166241

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 137385078) is 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is NC1CCCc2c1[nH]c1ccc(OC(F)(F)F)cc21.
What is the InChIKey of 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is AXMQQYGDUMLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)19-7-4-5-11-9(6-7)8-2-1-3-10(17)12(8)18-11/h4-6,10,18H,1-3,17H2.
What are the key properties of 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 270.25 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 137385078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).