1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]

C21H22F3NO — CID 11013863

IUPAC1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1
InChIInChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2
InChIKeyPCWXMSHXEKJUAY-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.51
Rot. Bonds3

About 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]

1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 11013863) has the molecular formula C21H22F3NO and a molecular weight of 361.41 g/mol. Its IUPAC name is 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID11013863
Molecular FormulaC21H22F3NO
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1
InChIInChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2
InChIKeyPCWXMSHXEKJUAY-UHFFFAOYSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] (CID 11013863) is 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] is Fc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1.
What is the InChIKey of 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is PCWXMSHXEKJUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO/c22-16-5-4-15(19(24)14-16)7-11-25-12-9-21(10-13-25)8-6-17-18(23)2-1-3-20(17)26-21/h1-5,14H,6-13H2.
What are the key properties of 1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-[2-(2,4-difluorophenyl)ethyl]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 361.41 g/mol, XLogP of 4.51, 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]-5-fluorospiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 11013863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).