1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C15H16F2N2 — CID 83197655

IUPAC1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESFC(F)Cn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C15H16F2N2/c16-15(17)10-19-9-13(11-5-7-18-8-6-11)12-3-1-2-4-14(12)19/h1-5,9,15,18H,6-8,10H2
InChIKeyZIGSAPSUJCWJMW-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 83197655) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID83197655
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESFC(F)Cn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C15H16F2N2/c16-15(17)10-19-9-13(11-5-7-18-8-6-11)12-3-1-2-4-14(12)19/h1-5,9,15,18H,6-8,10H2
InChIKeyZIGSAPSUJCWJMW-UHFFFAOYSA-N
XLogP3.28
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 83197655) is 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is FC(F)Cn1cc(C2=CCNCC2)c2ccccc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is ZIGSAPSUJCWJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c16-15(17)10-19-9-13(11-5-7-18-8-6-11)12-3-1-2-4-14(12)19/h1-5,9,15,18H,6-8,10H2.
What are the key properties of 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 262.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 83197655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).