1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

C21H23F2NO — CID 10991521

IUPAC1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1
InChIInChI=1S/C21H23F2NO/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)25-21/h1-6,15H,7-14H2
InChIKeyHMDHSUIMQILHRP-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.37
Rot. Bonds3

About 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 10991521) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID10991521
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1
InChIInChI=1S/C21H23F2NO/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)25-21/h1-6,15H,7-14H2
InChIKeyHMDHSUIMQILHRP-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 10991521) is 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is Fc1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)c(F)c1.
What is the InChIKey of 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is HMDHSUIMQILHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c22-18-6-5-16(19(23)15-18)8-12-24-13-10-21(11-14-24)9-7-17-3-1-2-4-20(17)25-21/h1-6,15H,7-14H2.
What are the key properties of 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 343.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2,4-difluorophenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 10991521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).