5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole

C10H8F5N — CID 84699877

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)C(F)(F)c1ccc2c(c1)CCN2
InChIInChI=1S/C10H8F5N/c11-9(12,10(13,14)15)7-1-2-8-6(5-7)3-4-16-8/h1-2,5,16H,3-4H2
InChIKeyLESIMYUDFXFYMO-UHFFFAOYSA-N
MW237.17 g/mol
LogP3.31
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole

5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole (PubChem CID 84699877) has the molecular formula C10H8F5N and a molecular weight of 237.17 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole
PubChem CID84699877
Molecular FormulaC10H8F5N
Molecular Weight237.17 g/mol
Exact Mass237.06
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)C(F)(F)c1ccc2c(c1)CCN2
InChIInChI=1S/C10H8F5N/c11-9(12,10(13,14)15)7-1-2-8-6(5-7)3-4-16-8/h1-2,5,16H,3-4H2
InChIKeyLESIMYUDFXFYMO-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(1,1-difluoropropyl)phenyl]-2,3-dihydro-1H-indole
CID 143690522
3-(2,3-dihydro-1H-indol-5-yl)-3-methylbutanoic acid
CID 116998166
5-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 107289622
methyl 3,3,3-trifluoro-2-hydroxy-2-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 2999213
N-methyl-2-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-amine
CID 116998112
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
CID 66926636
4-methylidene-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 129083834
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
5-(aziridin-2-yl)-2,3-dihydro-1H-indole
CID 88562655
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole (CID 84699877) is 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole is FC(F)(F)C(F)(F)c1ccc2c(c1)CCN2.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole?
The InChIKey is LESIMYUDFXFYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N/c11-9(12,10(13,14)15)7-1-2-8-6(5-7)3-4-16-8/h1-2,5,16H,3-4H2.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole?
5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole has a molecular weight of 237.17 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 84699877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).