methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate

C16H14FNO2 — CID 155920785

IUPACmethyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc2c(c(-c3cccc(F)c3)c1)CCN2
InChIInChI=1S/C16H14FNO2/c1-20-16(19)11-8-14(10-3-2-4-12(17)7-10)13-5-6-18-15(13)9-11/h2-4,7-9,18H,5-6H2,1H3
InChIKeySJRRWAVDQIYEMV-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.25
Rot. Bonds2

About methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate

methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate (PubChem CID 155920785) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate
PubChem CID155920785
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Namemethyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc2c(c(-c3cccc(F)c3)c1)CCN2
InChIInChI=1S/C16H14FNO2/c1-20-16(19)11-8-14(10-3-2-4-12(17)7-10)13-5-6-18-15(13)9-11/h2-4,7-9,18H,5-6H2,1H3
InChIKeySJRRWAVDQIYEMV-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 68701783
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
methyl 3-fluorobenzoate
CID 521184
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 2-(3-fluorophenyl)-5-methylsulfanylbenzoate
CID 143289095
methyl 4-(3-fluoroanilino)benzoate
CID 67974249
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-indole
CID 116698397
4-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1H-indole
CID 116698337

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate (CID 155920785) is methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate is COC(=O)c1cc2c(c(-c3cccc(F)c3)c1)CCN2.
What is the InChIKey of methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate?
The InChIKey is SJRRWAVDQIYEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-16(19)11-8-14(10-3-2-4-12(17)7-10)13-5-6-18-15(13)9-11/h2-4,7-9,18H,5-6H2,1H3.
What are the key properties of methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate?
methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate has a molecular weight of 271.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate is sourced from PubChem (CID 155920785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).