3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole

C10H11F2NO — CID 84668692

IUPAC3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NCC2C(F)F
InChIInChI=1S/C10H11F2NO/c1-14-8-4-2-3-6-7(10(11)12)5-13-9(6)8/h2-4,7,10,13H,5H2,1H3
InChIKeyVJCWARBLPWROHG-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.47
Rot. Bonds2

About 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole

3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole (PubChem CID 84668692) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
PubChem CID84668692
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole
SMILESCOc1cccc2c1NCC2C(F)F
InChIInChI=1S/C10H11F2NO/c1-14-8-4-2-3-6-7(10(11)12)5-13-9(6)8/h2-4,7,10,13H,5H2,1H3
InChIKeyVJCWARBLPWROHG-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-N,N,3-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275705
2-(7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276698
8-methoxy-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 54763699
1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84723493
7-methoxy-3-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986429
5-methoxy-2-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84635730
4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499137
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866
8-methoxy-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 105493234
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
7-chloro-3-pentan-3-yl-2,3-dihydro-1H-indole
CID 106985918

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole (CID 84668692) is 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole is COc1cccc2c1NCC2C(F)F.
What is the InChIKey of 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
The InChIKey is VJCWARBLPWROHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-14-8-4-2-3-6-7(10(11)12)5-13-9(6)8/h2-4,7,10,13H,5H2,1H3.
What are the key properties of 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole?
3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole has a molecular weight of 199.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 84668692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).