methyl 7-fluoro-2,3-dihydroindole-1-carboxylate

C10H10FNO2 — CID 110725158

IUPACmethyl 7-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cccc(F)c21
InChIInChI=1S/C10H10FNO2/c1-14-10(13)12-6-5-7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3
InChIKeyDIDLSLLWLGSODC-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.95
Rot. Bonds

About methyl 7-fluoro-2,3-dihydroindole-1-carboxylate

methyl 7-fluoro-2,3-dihydroindole-1-carboxylate (PubChem CID 110725158) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 7-fluoro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-2,3-dihydroindole-1-carboxylate
PubChem CID110725158
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 7-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cccc(F)c21
InChIInChI=1S/C10H10FNO2/c1-14-10(13)12-6-5-7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3
InChIKeyDIDLSLLWLGSODC-UHFFFAOYSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl 7-fluoro-2,3-dihydroindole-1-carboxylate (CID 110725158) is methyl 7-fluoro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 7-fluoro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 7-fluoro-2,3-dihydroindole-1-carboxylate is COC(=O)N1CCc2cccc(F)c21.
What is the InChIKey of methyl 7-fluoro-2,3-dihydroindole-1-carboxylate?
The InChIKey is DIDLSLLWLGSODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)12-6-5-7-3-2-4-8(11)9(7)12/h2-4H,5-6H2,1H3.
What are the key properties of methyl 7-fluoro-2,3-dihydroindole-1-carboxylate?
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate has a molecular weight of 195.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 110725158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).