6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine

C20H17F3N2O — CID 71550202

IUPAC6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine
SMILESCC1(C)COc2ccc(-c3cc(F)cc(F)c3)cc2C12C=C(F)C(N)=N2
InChIInChI=1S/C20H17F3N2O/c1-19(2)10-26-17-4-3-11(12-5-13(21)8-14(22)6-12)7-15(17)20(19)9-16(23)18(24)25-20/h3-9H,10H2,1-2H3,(H2,24,25)
InChIKeyTWEMPSRWVUPLHY-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.47
Rot. Bonds1

About 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine

6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine (PubChem CID 71550202) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine
PubChem CID71550202
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine
SMILESCC1(C)COc2ccc(-c3cc(F)cc(F)c3)cc2C12C=C(F)C(N)=N2
InChIInChI=1S/C20H17F3N2O/c1-19(2)10-26-17-4-3-11(12-5-13(21)8-14(22)6-12)7-15(17)20(19)9-16(23)18(24)25-20/h3-9H,10H2,1-2H3,(H2,24,25)
InChIKeyTWEMPSRWVUPLHY-UHFFFAOYSA-N
XLogP4.47
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine with MolForge

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Related Compounds

6'-(2-Fluoro-5-methoxyphenyl)trispiro[cyclobutane-1,2'-chromene-4',4''-[1,3]oxazole-3',3'''-oxetan]-2''-amine
CID 90025640
CID 90054972
CID 90054972
CID 90056333
CID 90056333
CID 90056442
CID 90056442
CID 90056447
CID 90056447
CID 90056456
CID 90056456
CID 90056466
CID 90056466
CID 90056475
CID 90056475
CID 90056487
CID 90056487
CID 90246749
CID 90246749
6-(3,5-Difluorophenyl)-5'-methylspiro[chroman-4,2'-imidazol]-4'-amine
CID 57384616
6-(3,5-Dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
CID 57384617

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine?
The IUPAC name of 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine (CID 71550202) is 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine?
The canonical SMILES for 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine is CC1(C)COc2ccc(-c3cc(F)cc(F)c3)cc2C12C=C(F)C(N)=N2.
What is the InChIKey of 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine?
The InChIKey is TWEMPSRWVUPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c1-19(2)10-26-17-4-3-11(12-5-13(21)8-14(22)6-12)7-15(17)20(19)9-16(23)18(24)25-20/h3-9H,10H2,1-2H3,(H2,24,25).
What are the key properties of 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine?
6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine has a molecular weight of 358.36 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-3'-fluoro-3,3-dimethylspiro[2H-chromene-4,5'-pyrrole]-2'-amine is sourced from PubChem (CID 71550202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).