4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole

C13H12FNS — CID 3591204

IUPAC4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc(F)c2c1NC(c1cccs1)C2
InChIInChI=1S/C13H12FNS/c1-8-4-5-10(14)9-7-11(15-13(8)9)12-3-2-6-16-12/h2-6,11,15H,7H2,1H3
InChIKeyMMVQARLNFLJCKB-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.90
Rot. Bonds1

About 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole

4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole (PubChem CID 3591204) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
PubChem CID3591204
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc(F)c2c1NC(c1cccs1)C2
InChIInChI=1S/C13H12FNS/c1-8-4-5-10(14)9-7-11(15-13(8)9)12-3-2-6-16-12/h2-6,11,15H,7H2,1H3
InChIKeyMMVQARLNFLJCKB-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3980200
5-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3505165
2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 4203065
6-chloro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 3618708
2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3641396
2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3885142
7,8-difluoro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285794
7-propan-2-yl-2-thiophen-2-yl-2,3-dihydro-1H-indole
CID 4556277
8-methyl-3-thiophen-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 115285789
7-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115472239
6-chloro-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285782
4,7-dimethyl-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4657954

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole (CID 3591204) is 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole is Cc1ccc(F)c2c1NC(c1cccs1)C2.
What is the InChIKey of 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
The InChIKey is MMVQARLNFLJCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c1-8-4-5-10(14)9-7-11(15-13(8)9)12-3-2-6-16-12/h2-6,11,15H,7H2,1H3.
What are the key properties of 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole?
4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole has a molecular weight of 233.31 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-2-thiophen-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 3591204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).