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

C11H9F2NO3 — CID 123356982

IUPACmethyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H9F2NO3/c1-17-11(15)7-4-9(14-16)10-6(7)2-5(12)3-8(10)13/h2-3,7,9H,4H2,1H3
InChIKeyUCUCUSHBAZEITP-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.43
Rot. Bonds2

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

methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 123356982) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID123356982
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Namemethyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H9F2NO3/c1-17-11(15)7-4-9(14-16)10-6(7)2-5(12)3-8(10)13/h2-3,7,9H,4H2,1H3
InChIKeyUCUCUSHBAZEITP-UHFFFAOYSA-N
XLogP2.43
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-2,3-dihydro-1H-indene-1-carboxylate
CID 122163688
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
methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123203152
methyl 3-amino-4-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123233906
3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 123294944
methyl 3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123342266
methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123350598
methyl 3-amino-5-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123388948
3-amino-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 123602026
methyl 3-amino-6-fluoro-2,3-dihydro-1H-indene-1-carboxylate
CID 123921786
3-amino-2-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 174904988

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (CID 123356982) is methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CC(N=O)c2c(F)cc(F)cc21.
What is the InChIKey of methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is UCUCUSHBAZEITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c1-17-11(15)7-4-9(14-16)10-6(7)2-5(12)3-8(10)13/h2-3,7,9H,4H2,1H3.
What are the key properties of methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 241.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 123356982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).