7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol

C12H14F2N2O — CID 90962723

IUPAC7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol
SMILESCc1c2cccc(N)c2c(O)n1CC(C)(F)F
InChIInChI=1S/C12H14F2N2O/c1-7-8-4-3-5-9(15)10(8)11(17)16(7)6-12(2,13)14/h3-5,17H,6,15H2,1-2H3
InChIKeyCPGKWECPKMAQIP-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.89
Rot. Bonds2

About 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol

7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol (PubChem CID 90962723) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol.

Molecular Properties

Compound Name7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol
PubChem CID90962723
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol
SMILESCc1c2cccc(N)c2c(O)n1CC(C)(F)F
InChIInChI=1S/C12H14F2N2O/c1-7-8-4-3-5-9(15)10(8)11(17)16(7)6-12(2,13)14/h3-5,17H,6,15H2,1-2H3
InChIKeyCPGKWECPKMAQIP-UHFFFAOYSA-N
XLogP2.89
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
3-hydrazinylidene-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
CID 767127
1-ethyl-3-(2-piperidinylidene)-1,3-dihydro-2H-indol-2-one
CID 878566
3-hydrazinylidene-1-propyl-2,3-dihydro-1H-indol-2-one
CID 2384264
3-(3H-indol-2-yl)-1-methylindol-2-ol
CID 136066022
11-Methyl-2,4,11-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),2,4,6,8,10(17),12,14-octaen-12-ol
CID 159546729
3-Hydrazono-1-methyl-1,3-dihydro-indol-2-one
CID 600234
1-Ethyl-3-(pyrrolidin-2-ylidene)-2-indolinone
CID 615082
1-Methyl-1H-indol-2-ol
CID 2763659
(3Z)-1-butyl-3-[[2-(trifluoromethyl)phenyl]hydrazono]oxindole
CID 135857075
3-(aminomethylene)-1-phenyl-1,3-dihydro-2H-indol-2-one
CID 741254
1-Methyl-3-[(1-naphthylamino)methylene]-1,3-dihydro-2H-indol-2-one
CID 805270

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol?
The IUPAC name of 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol (CID 90962723) is 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol.
What is the SMILES notation for 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol?
The canonical SMILES for 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol is Cc1c2cccc(N)c2c(O)n1CC(C)(F)F.
What is the InChIKey of 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol?
The InChIKey is CPGKWECPKMAQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-7-8-4-3-5-9(15)10(8)11(17)16(7)6-12(2,13)14/h3-5,17H,6,15H2,1-2H3.
What are the key properties of 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol?
7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol has a molecular weight of 240.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2,2-difluoropropyl)-3-methylisoindol-1-ol is sourced from PubChem (CID 90962723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).