6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

C19H19ClFNO — CID 11631327

IUPAC6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCC1c2cc(Cl)c(OCc3ccc(F)cc3)cc2C2CNCC12
InChIInChI=1S/C19H19ClFNO/c1-11-14-6-18(20)19(7-15(14)17-9-22-8-16(11)17)23-10-12-2-4-13(21)5-3-12/h2-7,11,16-17,22H,8-10H2,1H3
InChIKeyTUQATKYXOFSONT-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.48
Rot. Bonds3

About 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole

6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (PubChem CID 11631327) has the molecular formula C19H19ClFNO and a molecular weight of 331.82 g/mol. Its IUPAC name is 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
PubChem CID11631327
Molecular FormulaC19H19ClFNO
Molecular Weight331.82 g/mol
Exact Mass331.11
IUPAC Name6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCC1c2cc(Cl)c(OCc3ccc(F)cc3)cc2C2CNCC12
InChIInChI=1S/C19H19ClFNO/c1-11-14-6-18(20)19(7-15(14)17-9-22-8-16(11)17)23-10-12-2-4-13(21)5-3-12/h2-7,11,16-17,22H,8-10H2,1H3
InChIKeyTUQATKYXOFSONT-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The IUPAC name of 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (CID 11631327) is 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The canonical SMILES for 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is CC1c2cc(Cl)c(OCc3ccc(F)cc3)cc2C2CNCC12.
What is the InChIKey of 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The InChIKey is TUQATKYXOFSONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO/c1-11-14-6-18(20)19(7-15(14)17-9-22-8-16(11)17)23-10-12-2-4-13(21)5-3-12/h2-7,11,16-17,22H,8-10H2,1H3.
What are the key properties of 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole has a molecular weight of 331.82 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(4-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is sourced from PubChem (CID 11631327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).