5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole

C15H16F3N — CID 79193595

IUPAC5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCCCC1CCc2[nH]c3cc(F)c(F)c(F)c3c2C1
InChIInChI=1S/C15H16F3N/c1-2-3-8-4-5-11-9(6-8)13-12(19-11)7-10(16)14(17)15(13)18/h7-8,19H,2-6H2,1H3
InChIKeyPOLVEZXNRHEXMC-UHFFFAOYSA-N
MW267.29 g/mol
LogP4.49
Rot. Bonds2

About 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole

5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 79193595) has the molecular formula C15H16F3N and a molecular weight of 267.29 g/mol. Its IUPAC name is 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID79193595
Molecular FormulaC15H16F3N
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole
SMILESCCCC1CCc2[nH]c3cc(F)c(F)c(F)c3c2C1
InChIInChI=1S/C15H16F3N/c1-2-3-8-4-5-11-9(6-8)13-12(19-11)7-10(16)14(17)15(13)18/h7-8,19H,2-6H2,1H3
InChIKeyPOLVEZXNRHEXMC-UHFFFAOYSA-N
XLogP4.49
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
CID 79195348
2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylethanamine
CID 143281188
5,6,7-trifluorospiro[1,2,4,9-tetrahydrocarbazole-3,1'-cyclopentane]
CID 114820912
5,6,8-trifluoro-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386290
5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65333328
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 84626995
8-propyl-3-(3,4,5-trifluorophenyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 16656788
2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane
CID 89069162
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 82275010
5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
CID 63386189
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852312

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole (CID 79193595) is 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole is CCCC1CCc2[nH]c3cc(F)c(F)c(F)c3c2C1.
What is the InChIKey of 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is POLVEZXNRHEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N/c1-2-3-8-4-5-11-9(6-8)13-12(19-11)7-10(16)14(17)15(13)18/h7-8,19H,2-6H2,1H3.
What are the key properties of 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole?
5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 267.29 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-3-propyl-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 79193595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).