1-benzyl-2-(difluoromethyl)-2,3-dihydroindole

C16H15F2N — CID 22629636

IUPAC1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
SMILESFC(F)C1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15F2N/c17-16(18)15-10-13-8-4-5-9-14(13)19(15)11-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2
InChIKeyBKCCUGWSXSZSMR-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.88
Rot. Bonds3

About 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole

1-benzyl-2-(difluoromethyl)-2,3-dihydroindole (PubChem CID 22629636) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
PubChem CID22629636
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
SMILESFC(F)C1Cc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15F2N/c17-16(18)15-10-13-8-4-5-9-14(13)19(15)11-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2
InChIKeyBKCCUGWSXSZSMR-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
2-(1-benzyl-2,3-dihydroindol-2-yl)ethanamine
CID 115107304
2-(1-benzyl-2,3-dihydroindol-2-yl)acetaldehyde
CID 115107298
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
CID 112803274
1-benzyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 171430341
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106322

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole?
The IUPAC name of 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole (CID 22629636) is 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole?
The canonical SMILES for 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole is FC(F)C1Cc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole?
The InChIKey is BKCCUGWSXSZSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-16(18)15-10-13-8-4-5-9-14(13)19(15)11-12-6-2-1-3-7-12/h1-9,15-16H,10-11H2.
What are the key properties of 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole?
1-benzyl-2-(difluoromethyl)-2,3-dihydroindole has a molecular weight of 259.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(difluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 22629636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).