methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

C11H10FNO3 — CID 123350598

IUPACmethyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2cc(F)ccc21
InChIInChI=1S/C11H10FNO3/c1-16-11(14)9-5-10(13-15)8-4-6(12)2-3-7(8)9/h2-4,9-10H,5H2,1H3
InChIKeySGAFSQXJHXZSQL-UHFFFAOYSA-N
MW223.20 g/mol
LogP2.29
Rot. Bonds2

About methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 123350598) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID123350598
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2cc(F)ccc21
InChIInChI=1S/C11H10FNO3/c1-16-11(14)9-5-10(13-15)8-4-6(12)2-3-7(8)9/h2-4,9-10H,5H2,1H3
InChIKeySGAFSQXJHXZSQL-UHFFFAOYSA-N
XLogP2.29
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.29
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
rac-(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 132342251
(1S,3R)-3-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 1502027
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 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123356982
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (CID 123350598) is methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CC(N=O)c2cc(F)ccc21.
What is the InChIKey of methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is SGAFSQXJHXZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-16-11(14)9-5-10(13-15)8-4-6(12)2-3-7(8)9/h2-4,9-10H,5H2,1H3.
What are the key properties of methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 223.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 123350598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).