8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine

C20H20ClF2NO2 — CID 10110283

IUPAC8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
SMILESCCCOc1cc(-c2c(F)cc(Cl)cc2F)cc2c1OC1CCNCC21
InChIInChI=1S/C20H20ClF2NO2/c1-2-5-25-18-7-11(19-15(22)8-12(21)9-16(19)23)6-13-14-10-24-4-3-17(14)26-20(13)18/h6-9,14,17,24H,2-5,10H2,1H3
InChIKeyYOFKPORDDLIGAI-UHFFFAOYSA-N
MW379.83 g/mol
LogP4.91
Rot. Bonds4

About 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine

8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 10110283) has the molecular formula C20H20ClF2NO2 and a molecular weight of 379.83 g/mol. Its IUPAC name is 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
PubChem CID10110283
Molecular FormulaC20H20ClF2NO2
Molecular Weight379.83 g/mol
Exact Mass379.12
IUPAC Name8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
SMILESCCCOc1cc(-c2c(F)cc(Cl)cc2F)cc2c1OC1CCNCC21
InChIInChI=1S/C20H20ClF2NO2/c1-2-5-25-18-7-11(19-15(22)8-12(21)9-16(19)23)6-13-14-10-24-4-3-17(14)26-20(13)18/h6-9,14,17,24H,2-5,10H2,1H3
InChIKeyYOFKPORDDLIGAI-UHFFFAOYSA-N
XLogP4.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

(4aS,9bR)-6-butoxy-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741499
(4aS)-8-(4-chloro-2,6-difluorophenyl)-N,N-diethyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
CID 142203313
(9bR)-8-(4-chloro-2,6-difluorophenyl)-6-cyclohexylsulfanyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 163884712
8-(4-chloro-2,6-difluorophenyl)-N-cyclohexyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
CID 10295549
8-(2,4-dichlorophenyl)-6-propan-2-yloxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 10110175
(9bR)-6-cyclohexyl-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 142203290
6-cyclohexyloxy-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 10136777
8-(2,4-dichlorophenyl)-N,N-dipropyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridin-6-amine
CID 10273553
(4aS,9bR)-6-benzyl-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741496
6-pyrrolidin-1-yl-8-(2,4,6-trichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 23508088
(4aS,9bR)-8-(2,4-dichlorophenyl)-6-propan-2-ylsulfanyl-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741527
(4aS,9bR)-6-cyclohexyl-8-(2,4-dichlorophenyl)-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine
CID 20741534

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine (CID 10110283) is 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine is CCCOc1cc(-c2c(F)cc(Cl)cc2F)cc2c1OC1CCNCC21.
What is the InChIKey of 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is YOFKPORDDLIGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2NO2/c1-2-5-25-18-7-11(19-15(22)8-12(21)9-16(19)23)6-13-14-10-24-4-3-17(14)26-20(13)18/h6-9,14,17,24H,2-5,10H2,1H3.
What are the key properties of 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine?
8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 379.83 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,6-difluorophenyl)-6-propoxy-1,2,3,4,4a,9b-hexahydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 10110283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).