1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

C15H19F2NO — CID 107512350

IUPAC1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESCc1ccc(C2(O)CCN3CCCCC32)c(F)c1F
InChIInChI=1S/C15H19F2NO/c1-10-5-6-11(14(17)13(10)16)15(19)7-9-18-8-3-2-4-12(15)18/h5-6,12,19H,2-4,7-9H2,1H3
InChIKeyYJWKWCSVZHZRSI-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.72
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (PubChem CID 107512350) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
PubChem CID107512350
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESCc1ccc(C2(O)CCN3CCCCC32)c(F)c1F
InChIInChI=1S/C15H19F2NO/c1-10-5-6-11(14(17)13(10)16)15(19)7-9-18-8-3-2-4-12(15)18/h5-6,12,19H,2-4,7-9H2,1H3
InChIKeyYJWKWCSVZHZRSI-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (CID 107512350) is 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is Cc1ccc(C2(O)CCN3CCCCC32)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The InChIKey is YJWKWCSVZHZRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-10-5-6-11(14(17)13(10)16)15(19)7-9-18-8-3-2-4-12(15)18/h5-6,12,19H,2-4,7-9H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol has a molecular weight of 267.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is sourced from PubChem (CID 107512350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).