5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole

C12H16FN — CID 84664966

IUPAC5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)CC(C(C)F)N2
InChIInChI=1S/C12H16FN/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-6,8,12,14H,3,7H2,1-2H3
InChIKeyICTUDKVOZMLJSS-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.94
Rot. Bonds2

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

5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole (PubChem CID 84664966) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
PubChem CID84664966
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc2c(c1)CC(C(C)F)N2
InChIInChI=1S/C12H16FN/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-6,8,12,14H,3,7H2,1-2H3
InChIKeyICTUDKVOZMLJSS-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-ethyl-2,3-dihydro-1H-indol-2-yl)-N-methylethanamine
CID 83860511
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
2-tert-butyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165488028
5-fluoro-2-propan-2-yl-2,3-dihydro-1H-indole
CID 82276851
2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165476679
2-(4-tert-butylphenyl)-5-ethyl-2,3-dihydro-1H-indole
CID 5134941
5-ethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5136391
6-ethyl-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 70866710
6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230354
2-(1,1-difluoroethyl)-6-ethyl-2,3-dihydro-1H-indole
CID 84678421
2-(difluoromethyl)-2,3-dihydro-1H-indol-5-ol
CID 84659924
2-(5-nitro-2,3-dihydro-1H-indol-2-yl)propan-1-ol
CID 70828178

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole (CID 84664966) is 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole is CCc1ccc2c(c1)CC(C(C)F)N2.
What is the InChIKey of 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole?
The InChIKey is ICTUDKVOZMLJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-6,8,12,14H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole?
5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole has a molecular weight of 193.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-fluoroethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 84664966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).