methyl 5-fluoro-2,3-dihydroindole-1-carboxylate

C10H10FNO2 — CID 110713972

IUPACmethyl 5-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5H2,1H3
InChIKeyNJYXHPWLXINBNK-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.95
Rot. Bonds

About methyl 5-fluoro-2,3-dihydroindole-1-carboxylate

methyl 5-fluoro-2,3-dihydroindole-1-carboxylate (PubChem CID 110713972) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 5-fluoro-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2,3-dihydroindole-1-carboxylate
PubChem CID110713972
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 5-fluoro-2,3-dihydroindole-1-carboxylate
SMILESCOC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2/c1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5H2,1H3
InChIKeyNJYXHPWLXINBNK-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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Related Compounds

tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
5-fluoro-1-methoxy-2,3-dihydroindole
CID 18711708
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
methyl 6-carbamoyl-2,3-dihydroindole-1-carboxylate
CID 22382719
methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
5-(5-fluoro-2,3-dihydroindole-1-carbonyl)-N-methylthiophene-3-sulfonamide
CID 154798284
tert-butyl 6-acetamido-5-fluoro-2,3-dihydroindole-1-carboxylate
CID 59468798
CID 89009640
CID 89009640
(2-chloro-4-fluorophenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26527276
5-fluoro-N-(1-oxo-2H-isoquinolin-5-yl)-2,3-dihydroindole-1-carboxamide
CID 167909360

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2,3-dihydroindole-1-carboxylate?
The IUPAC name of methyl 5-fluoro-2,3-dihydroindole-1-carboxylate (CID 110713972) is methyl 5-fluoro-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for methyl 5-fluoro-2,3-dihydroindole-1-carboxylate is COC(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of methyl 5-fluoro-2,3-dihydroindole-1-carboxylate?
The InChIKey is NJYXHPWLXINBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 5-fluoro-2,3-dihydroindole-1-carboxylate?
methyl 5-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 5-fluoro-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 110713972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).