7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole

C16H14ClF2N — CID 103052163

IUPAC7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole
SMILESFc1ccc(Cl)cc1CC(F)c1cccc2c1NCC2
InChIInChI=1S/C16H14ClF2N/c17-12-4-5-14(18)11(8-12)9-15(19)13-3-1-2-10-6-7-20-16(10)13/h1-5,8,15,20H,6-7,9H2
InChIKeyIYYJOHXTFUQTMC-UHFFFAOYSA-N
MW293.74 g/mol
LogP4.70
Rot. Bonds3

About 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole

7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole (PubChem CID 103052163) has the molecular formula C16H14ClF2N and a molecular weight of 293.74 g/mol. Its IUPAC name is 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole
PubChem CID103052163
Molecular FormulaC16H14ClF2N
Molecular Weight293.74 g/mol
Exact Mass293.08
IUPAC Name7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole
SMILESFc1ccc(Cl)cc1CC(F)c1cccc2c1NCC2
InChIInChI=1S/C16H14ClF2N/c17-12-4-5-14(18)11(8-12)9-15(19)13-3-1-2-10-6-7-20-16(10)13/h1-5,8,15,20H,6-7,9H2
InChIKeyIYYJOHXTFUQTMC-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 103047776
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 106866608
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 103048252
(3R)-3-amino-3-(2,3-dihydro-1H-indol-7-yl)propan-1-ol
CID 55264438
7-[(3-bromo-2-fluorophenyl)-fluoromethyl]-2,3-dihydro-1H-indole
CID 106647083
(2S)-2-amino-2-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 55278047
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 103048254
3-chloro-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80648678
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
7-[2,3-dihydro-1-benzofuran-5-yl(fluoro)methyl]-2,3-dihydro-1H-indole
CID 104545426

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole (CID 103052163) is 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole is Fc1ccc(Cl)cc1CC(F)c1cccc2c1NCC2.
What is the InChIKey of 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole?
The InChIKey is IYYJOHXTFUQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N/c17-12-4-5-14(18)11(8-12)9-15(19)13-3-1-2-10-6-7-20-16(10)13/h1-5,8,15,20H,6-7,9H2.
What are the key properties of 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole?
7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole has a molecular weight of 293.74 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-2-fluorophenyl)-1-fluoroethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 103052163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).