[3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate

C19H16F3NO2 — CID 3955070

IUPAC[3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)15-5-3-4-13(10-15)12-25-18(24)9-8-14-11-23-17-7-2-1-6-16(14)17/h1-7,10-11,23H,8-9,12H2
InChIKeyHRRDNEDSHSOIGX-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.86
Rot. Bonds5

About [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate

[3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 3955070) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate
PubChem CID3955070
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name[3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)15-5-3-4-13(10-15)12-25-18(24)9-8-14-11-23-17-7-2-1-6-16(14)17/h1-7,10-11,23H,8-9,12H2
InChIKeyHRRDNEDSHSOIGX-UHFFFAOYSA-N
XLogP4.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate (CID 3955070) is [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is HRRDNEDSHSOIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)15-5-3-4-13(10-15)12-25-18(24)9-8-14-11-23-17-7-2-1-6-16(14)17/h1-7,10-11,23H,8-9,12H2.
What are the key properties of [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate?
[3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 347.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 3955070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).