methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate

C11H11F2NO2 — CID 123342266

IUPACmethyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N)c2c(F)cc(F)cc21
InChIInChI=1S/C11H11F2NO2/c1-16-11(15)7-4-9(14)10-6(7)2-5(12)3-8(10)13/h2-3,7,9H,4,14H2,1H3
InChIKeyUJWOBHVHTNDMHE-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.62
Rot. Bonds1

About methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate

methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 123342266) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID123342266
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Namemethyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N)c2c(F)cc(F)cc21
InChIInChI=1S/C11H11F2NO2/c1-16-11(15)7-4-9(14)10-6(7)2-5(12)3-8(10)13/h2-3,7,9H,4,14H2,1H3
InChIKeyUJWOBHVHTNDMHE-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
CID 122163688
rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 132342251
methyl 1-amino-4-fluoro-2,3-dihydro-1H-indene-1-carboxylate hydrochloride
CID 165670355
2-(3-amino-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 21820527
(1S,3R)-3-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 1502027
Methyl 3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 18922371
Methyl 3-(S)-(amino)-2-(R)-(4-fluorophenyl)cyclopentane-1-(R)-carboxylate
CID 22885810
Methyl 3-(S)-(amino)-2-(S)-(4-fluorophenyl)cyclopentane-1-(S)-carboxylate
CID 22885811
Methyl 1-amino-4,6-difluoro-2,3-dihydroindene-1-carboxylate
CID 66955315
methyl (1R,2R)-2-amino-2,3-dihydro-1H-indene-1-carboxylate;2,2,2-trifluoroacetic acid
CID 69155105
3-amino-5-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158196
3-amino-7-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158197

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate (CID 123342266) is methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CC(N)c2c(F)cc(F)cc21.
What is the InChIKey of methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is UJWOBHVHTNDMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-16-11(15)7-4-9(14)10-6(7)2-5(12)3-8(10)13/h2-3,7,9H,4,14H2,1H3.
What are the key properties of methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate?
methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 227.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 123342266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).