1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]

C21H20F3NO — CID 11057472

IUPAC1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]
SMILESFc1ccc(CCN2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1
InChIInChI=1S/C21H20F3NO/c22-17-3-4-20-16(13-17)5-7-21(26-20)8-11-25(12-9-21)10-6-15-1-2-18(23)14-19(15)24/h1-5,7,13-14H,6,8-12H2
InChIKeyHTKIFNUUHOERMF-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.59
Rot. Bonds3

About 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]

1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine] (PubChem CID 11057472) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]
PubChem CID11057472
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]
SMILESFc1ccc(CCN2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1
InChIInChI=1S/C21H20F3NO/c22-17-3-4-20-16(13-17)5-7-21(26-20)8-11-25(12-9-21)10-6-15-1-2-18(23)14-19(15)24/h1-5,7,13-14H,6,8-12H2
InChIKeyHTKIFNUUHOERMF-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-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]-6-fluorospiro[chromene-2,4'-piperidine]?
The IUPAC name of 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine] (CID 11057472) is 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine].
What is the SMILES notation for 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]?
The canonical SMILES for 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine] is Fc1ccc(CCN2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1.
What is the InChIKey of 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]?
The InChIKey is HTKIFNUUHOERMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c22-17-3-4-20-16(13-17)5-7-21(26-20)8-11-25(12-9-21)10-6-15-1-2-18(23)14-19(15)24/h1-5,7,13-14H,6,8-12H2.
What are the key properties of 1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine]?
1'-[2-(2,4-difluorophenyl)ethyl]-6-fluorospiro[chromene-2,4'-piperidine] has a molecular weight of 359.39 g/mol, XLogP of 4.59, 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]-6-fluorospiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 11057472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).