1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

C15H19F2NO — CID 105402722

IUPAC1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESOC1(Cc2cc(F)cc(F)c2)CCN2CCCCC21
InChIInChI=1S/C15H19F2NO/c16-12-7-11(8-13(17)9-12)10-15(19)4-6-18-5-2-1-3-14(15)18/h7-9,14,19H,1-6,10H2
InChIKeyMQWPTCVYQWYIDK-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.50
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol

1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (PubChem CID 105402722) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
PubChem CID105402722
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
SMILESOC1(Cc2cc(F)cc(F)c2)CCN2CCCCC21
InChIInChI=1S/C15H19F2NO/c16-12-7-11(8-13(17)9-12)10-15(19)4-6-18-5-2-1-3-14(15)18/h7-9,14,19H,1-6,10H2
InChIKeyMQWPTCVYQWYIDK-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol (CID 105402722) is 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is OC1(Cc2cc(F)cc(F)c2)CCN2CCCCC21.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
The InChIKey is MQWPTCVYQWYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-12-7-11(8-13(17)9-12)10-15(19)4-6-18-5-2-1-3-14(15)18/h7-9,14,19H,1-6,10H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol?
1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol has a molecular weight of 267.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol is sourced from PubChem (CID 105402722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).