5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole

C15H21F2NO — CID 106986180

IUPAC5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
SMILESCCCC(C)CC1CNc2ccc(OC(F)F)cc21
InChIInChI=1S/C15H21F2NO/c1-3-4-10(2)7-11-9-18-14-6-5-12(8-13(11)14)19-15(16)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyOTGNJBIVTGLSQD-UHFFFAOYSA-N
MW269.33 g/mol
LogP4.62
Rot. Bonds6

About 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole

5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole (PubChem CID 106986180) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
PubChem CID106986180
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole
SMILESCCCC(C)CC1CNc2ccc(OC(F)F)cc21
InChIInChI=1S/C15H21F2NO/c1-3-4-10(2)7-11-9-18-14-6-5-12(8-13(11)14)19-15(16)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3
InChIKeyOTGNJBIVTGLSQD-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(cyclobutylmethyl)-5-(difluoromethoxy)-2,3-dihydro-1H-indole
CID 106986354
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277205
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
5-(difluoromethoxy)-3-heptyl-1,3-dihydroindol-2-one
CID 106987093
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 83860271
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
CID 106987125
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole (CID 106986180) is 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole is CCCC(C)CC1CNc2ccc(OC(F)F)cc21.
What is the InChIKey of 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole?
The InChIKey is OTGNJBIVTGLSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-4-10(2)7-11-9-18-14-6-5-12(8-13(11)14)19-15(16)17/h5-6,8,10-11,15,18H,3-4,7,9H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole?
5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole has a molecular weight of 269.33 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-(2-methylpentyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).