methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

C11H9ClFNO3 — CID 123203152

IUPACmethyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2c(F)ccc(Cl)c21
InChIInChI=1S/C11H9ClFNO3/c1-17-11(15)5-4-8(14-16)10-7(13)3-2-6(12)9(5)10/h2-3,5,8H,4H2,1H3
InChIKeyDCEZAZXJATYPCY-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.95
Rot. Bonds2

About methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate

methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 123203152) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID123203152
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Namemethyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)C1CC(N=O)c2c(F)ccc(Cl)c21
InChIInChI=1S/C11H9ClFNO3/c1-17-11(15)5-4-8(14-16)10-7(13)3-2-6(12)9(5)10/h2-3,5,8H,4H2,1H3
InChIKeyDCEZAZXJATYPCY-UHFFFAOYSA-N
XLogP2.95
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123350598
methyl 4,6-difluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123356982
methyl 2-(4-chloro-1-nitroso-2,3-dihydro-1H-inden-2-yl)acetate
CID 54259020
methyl 3-nitroso-2,3-dihydro-1H-indene-1-carboxylate
CID 123745336
3-amino-7-chloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82158514

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate (CID 123203152) is methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)C1CC(N=O)c2c(F)ccc(Cl)c21.
What is the InChIKey of methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is DCEZAZXJATYPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c1-17-11(15)5-4-8(14-16)10-7(13)3-2-6(12)9(5)10/h2-3,5,8H,4H2,1H3.
What are the key properties of methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate?
methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 257.65 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-4-fluoro-3-nitroso-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 123203152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).