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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Related Compounds

2-(4-ethoxyphenyl)-1-(7-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 110743982
tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate
CID 168654459
[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110743992
1-(7-fluoro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 110725149
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
2,2,2-trifluoro-1-[4-(7-fluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]ethanone
CID 110725162
tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate
CID 1481360
tert-butyl 7-(ethylaminomethyl)-2,3-dihydroindole-1-carboxylate
CID 80502179
(3R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(7-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 97241573
tert-butyl 7-[(2-cyanoacetyl)amino]-2,3-dihydroindole-1-carboxylate
CID 168520980
ethene;methyl 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 143812546

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).