3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

C16H20F2N2O — CID 176854734

IUPAC3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3CC(F)F)c2c1
InChIInChI=1S/C16H20F2N2O/c1-21-13-4-5-15-14(8-13)11(9-19-15)7-12-3-2-6-20(12)10-16(17)18/h4-5,8-9,12,16,19H,2-3,6-7,10H2,1H3/t12-/m1/s1
InChIKeyOMGYTIVWDJQMBD-GFCCVEGCSA-N
MW294.35 g/mol
LogP3.45
Rot. Bonds5

About 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (PubChem CID 176854734) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
PubChem CID176854734
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3CC(F)F)c2c1
InChIInChI=1S/C16H20F2N2O/c1-21-13-4-5-15-14(8-13)11(9-19-15)7-12-3-2-6-20(12)10-16(17)18/h4-5,8-9,12,16,19H,2-3,6-7,10H2,1H3/t12-/m1/s1
InChIKeyOMGYTIVWDJQMBD-GFCCVEGCSA-N
XLogP3.45
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
CID 177026586
CID 177026586
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine;2,2,2-trifluoroacetaldehyde
CID 177026595
3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
CID 177026521
2-[4-[(2R)-2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]butyl]-3H-isoindol-1-one
CID 176854861

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (CID 176854734) is 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C[C@H]3CCCN3CC(F)F)c2c1.
What is the InChIKey of 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is OMGYTIVWDJQMBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-21-13-4-5-15-14(8-13)11(9-19-15)7-12-3-2-6-20(12)10-16(17)18/h4-5,8-9,12,16,19H,2-3,6-7,10H2,1H3/t12-/m1/s1.
What are the key properties of 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 294.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 176854734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).