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

C15H19ClFNO — CID 112653152

IUPAC7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCN2CCCC2C1
InChIInChI=1S/C15H19ClFNO/c16-14-11(3-1-5-13(14)17)9-15(19)6-8-18-7-2-4-12(18)10-15/h1,3,5,12,19H,2,4,6-10H2
InChIKeyVRHKDWJDAFFUGV-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.01
Rot. Bonds2

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

7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (PubChem CID 112653152) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.

Molecular Properties

Compound Name7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
PubChem CID112653152
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
SMILESOC1(Cc2cccc(F)c2Cl)CCN2CCCC2C1
InChIInChI=1S/C15H19ClFNO/c16-14-11(3-1-5-13(14)17)9-15(19)6-8-18-7-2-4-12(18)10-15/h1,3,5,12,19H,2,4,6-10H2
InChIKeyVRHKDWJDAFFUGV-UHFFFAOYSA-N
XLogP3.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The IUPAC name of 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol (CID 112653152) is 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol.
What is the SMILES notation for 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The canonical SMILES for 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is OC1(Cc2cccc(F)c2Cl)CCN2CCCC2C1.
What is the InChIKey of 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
The InChIKey is VRHKDWJDAFFUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-14-11(3-1-5-13(14)17)9-15(19)6-8-18-7-2-4-12(18)10-15/h1,3,5,12,19H,2,4,6-10H2.
What are the key properties of 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol?
7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol has a molecular weight of 283.77 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol is sourced from PubChem (CID 112653152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).