2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole

C16H15F2N — CID 5240308

IUPAC2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C)c2c(c1)NC(c1ccc(F)c(F)c1)C2
InChIInChI=1S/C16H15F2N/c1-9-5-10(2)12-8-15(19-16(12)6-9)11-3-4-13(17)14(18)7-11/h3-7,15,19H,8H2,1-2H3
InChIKeyCFILFEGPOMDMTD-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.29
Rot. Bonds1

About 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole

2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole (PubChem CID 5240308) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
PubChem CID5240308
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
SMILESCc1cc(C)c2c(c1)NC(c1ccc(F)c(F)c1)C2
InChIInChI=1S/C16H15F2N/c1-9-5-10(2)12-8-15(19-16(12)6-9)11-3-4-13(17)14(18)7-11/h3-7,15,19H,8H2,1-2H3
InChIKeyCFILFEGPOMDMTD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 5150094
4-(3,4-difluorophenyl)azetidin-2-one
CID 64665569
2-(3,4-dichlorophenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3885142
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
6-chloro-2-(3,4-difluorophenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4666905
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
4-(3,4-difluorophenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116980021
(2R)-2,5,7-trimethyl-1,2,3,4-tetrahydroquinoline
CID 95427024
(5S)-5-(3,4-difluorophenyl)pyrrolidin-3-one
CID 67459920
2-(3,4-dimethylphenyl)-4,7-dimethyl-2,3-dihydro-1H-indole
CID 3613734
2-(4-ethylphenyl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
CID 3641396
5,7-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 4013983

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole (CID 5240308) is 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole is Cc1cc(C)c2c(c1)NC(c1ccc(F)c(F)c1)C2.
What is the InChIKey of 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole?
The InChIKey is CFILFEGPOMDMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-9-5-10(2)12-8-15(19-16(12)6-9)11-3-4-13(17)14(18)7-11/h3-7,15,19H,8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole?
2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole has a molecular weight of 259.30 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 5240308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).