3-ethyl-2,3-dihydro-1H-indole;fluorobenzene

C16H18FN — CID 174405299

IUPAC3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
SMILESCCC1CNc2ccccc21.Fc1ccccc1
InChIInChI=1S/C10H13N.C6H5F/c1-2-8-7-11-10-6-4-3-5-9(8)10;7-6-4-2-1-3-5-6/h3-6,8,11H,2,7H2,1H3;1-5H
InChIKeyYHBHHTGZSDRXMW-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.43
Rot. Bonds1

About 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene

3-ethyl-2,3-dihydro-1H-indole;fluorobenzene (PubChem CID 174405299) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene.

Molecular Properties

Compound Name3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
PubChem CID174405299
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
SMILESCCC1CNc2ccccc21.Fc1ccccc1
InChIInChI=1S/C10H13N.C6H5F/c1-2-8-7-11-10-6-4-3-5-9(8)10;7-6-4-2-1-3-5-6/h3-6,8,11H,2,7H2,1H3;1-5H
InChIKeyYHBHHTGZSDRXMW-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene
CID 174420428
3-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104033
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
CID 80567020
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
3-ethyl-4-methylsulfanyl-2,3-dihydro-1H-indole
CID 83915674
(3R)-5-bromo-3-ethyl-2,3-dihydro-1H-indole
CID 95430883
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-phenylacetamide
CID 80572173

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene?
The IUPAC name of 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene (CID 174405299) is 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene.
What is the SMILES notation for 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene?
The canonical SMILES for 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene is CCC1CNc2ccccc21.Fc1ccccc1.
What is the InChIKey of 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene?
The InChIKey is YHBHHTGZSDRXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C6H5F/c1-2-8-7-11-10-6-4-3-5-9(8)10;7-6-4-2-1-3-5-6/h3-6,8,11H,2,7H2,1H3;1-5H.
What are the key properties of 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene?
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene has a molecular weight of 243.33 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydro-1H-indole;fluorobenzene is sourced from PubChem (CID 174405299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).