1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one

C19H22ClF2NO2 — CID 159043433

IUPAC1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one
SMILESO=C(CCC1CCCC(F)(F)C1)c1cc(CCO)n2cccc(Cl)c12
InChIInChI=1S/C19H22ClF2NO2/c20-16-4-2-9-23-14(7-10-24)11-15(18(16)23)17(25)6-5-13-3-1-8-19(21,22)12-13/h2,4,9,11,13,24H,1,3,5-8,10,12H2
InChIKeyJWIZQKHVRHJISY-UHFFFAOYSA-N
MW369.84 g/mol
LogP4.92
Rot. Bonds6

About 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one

1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one (PubChem CID 159043433) has the molecular formula C19H22ClF2NO2 and a molecular weight of 369.84 g/mol. Its IUPAC name is 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one.

Molecular Properties

Compound Name1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one
PubChem CID159043433
Molecular FormulaC19H22ClF2NO2
Molecular Weight369.84 g/mol
Exact Mass369.13
IUPAC Name1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one
SMILESO=C(CCC1CCCC(F)(F)C1)c1cc(CCO)n2cccc(Cl)c12
InChIInChI=1S/C19H22ClF2NO2/c20-16-4-2-9-23-14(7-10-24)11-15(18(16)23)17(25)6-5-13-3-1-8-19(21,22)12-13/h2,4,9,11,13,24H,1,3,5-8,10,12H2
InChIKeyJWIZQKHVRHJISY-UHFFFAOYSA-N
XLogP4.92
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?
The IUPAC name of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one (CID 159043433) is 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one.
What is the SMILES notation for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?
The canonical SMILES for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one is O=C(CCC1CCCC(F)(F)C1)c1cc(CCO)n2cccc(Cl)c12.
What is the InChIKey of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?
The InChIKey is JWIZQKHVRHJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2NO2/c20-16-4-2-9-23-14(7-10-24)11-15(18(16)23)17(25)6-5-13-3-1-8-19(21,22)12-13/h2,4,9,11,13,24H,1,3,5-8,10,12H2.
What are the key properties of 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one?
1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one has a molecular weight of 369.84 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-3-(2-hydroxyethyl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one is sourced from PubChem (CID 159043433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).