6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole

C10H8F5N — CID 151583537

IUPAC6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole
SMILESFC(F)(F)C(F)(F)C1CC=C2C=CN=C2C1
InChIInChI=1S/C10H8F5N/c11-9(12,10(13,14)15)7-2-1-6-3-4-16-8(6)5-7/h1,3-4,7H,2,5H2
InChIKeyQGZORQARTYMOPU-UHFFFAOYSA-N
MW237.17 g/mol
LogP3.49
Rot. Bonds1

About 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole

6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole (PubChem CID 151583537) has the molecular formula C10H8F5N and a molecular weight of 237.17 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole
PubChem CID151583537
Molecular FormulaC10H8F5N
Molecular Weight237.17 g/mol
Exact Mass237.06
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole
SMILESFC(F)(F)C(F)(F)C1CC=C2C=CN=C2C1
InChIInChI=1S/C10H8F5N/c11-9(12,10(13,14)15)7-2-1-6-3-4-16-8(6)5-7/h1,3-4,7H,2,5H2
InChIKeyQGZORQARTYMOPU-UHFFFAOYSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)-4-methyl-3,4-dihydropyridine
CID 71069156
N-ethenyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]prop-2-en-1-imine
CID 123848729
6-[5-(2,2,2-Trifluoroethyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydropyridine
CID 142832138
2-fluoro-6-methyl-6,7-dihydro-5H-indole
CID 152504750
6-(trifluoromethyl)-6,7-dihydro-5H-indole
CID 153975006
N-[(1Z,4E)-4-[4-(2,2-difluoroethyl)cyclohexa-1,5-dien-1-yl]hexa-1,4-dienyl]-3-methylbut-3-en-2-imine
CID 169622900
(3aR)-5-bromo-7-(trifluoromethyl)-3aH-indole
CID 126421804
(3aS)-5-bromo-7-(trifluoromethyl)-3aH-indole
CID 126421805
(3aS)-6-(difluoromethyl)-3aH-indole
CID 126422138
(3aR)-6-(difluoromethyl)-3aH-indole
CID 126422139
6-(1,1,2,2,3,3,3-heptafluoropropyl)-7H-1-benzazepine
CID 152261065
2-Cyclobutyl-3,3-difluoroazepine
CID 175212820

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole (CID 151583537) is 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole is FC(F)(F)C(F)(F)C1CC=C2C=CN=C2C1.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole?
The InChIKey is QGZORQARTYMOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N/c11-9(12,10(13,14)15)7-2-1-6-3-4-16-8(6)5-7/h1,3-4,7H,2,5H2.
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole?
6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole has a molecular weight of 237.17 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-5H-indole is sourced from PubChem (CID 151583537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).