(2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane

C18H17BrF3N — CID 143810811

IUPAC(2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane
SMILESCC.Fc1cc(Br)ccc1[C@H]1CCC(c2c(F)cccc2F)=N1
InChIInChI=1S/C16H11BrF3N.C2H6/c17-9-4-5-10(13(20)8-9)14-6-7-15(21-14)16-11(18)2-1-3-12(16)19;1-2/h1-5,8,14H,6-7H2;1-2H3/t14-;/m1./s1
InChIKeyCWOZTRCCMNNVNA-PFEQFJNWSA-N
MW384.24 g/mol
LogP6.22
Rot. Bonds2

About (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane

(2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane (PubChem CID 143810811) has the molecular formula C18H17BrF3N and a molecular weight of 384.24 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane
PubChem CID143810811
Molecular FormulaC18H17BrF3N
Molecular Weight384.24 g/mol
Exact Mass383.05
IUPAC Name(2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane
SMILESCC.Fc1cc(Br)ccc1[C@H]1CCC(c2c(F)cccc2F)=N1
InChIInChI=1S/C16H11BrF3N.C2H6/c17-9-4-5-10(13(20)8-9)14-6-7-15(21-14)16-11(18)2-1-3-12(16)19;1-2/h1-5,8,14H,6-7H2;1-2H3/t14-;/m1./s1
InChIKeyCWOZTRCCMNNVNA-PFEQFJNWSA-N
XLogP6.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane?
The IUPAC name of (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane (CID 143810811) is (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane.
What is the SMILES notation for (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane?
The canonical SMILES for (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane is CC.Fc1cc(Br)ccc1[C@H]1CCC(c2c(F)cccc2F)=N1.
What is the InChIKey of (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane?
The InChIKey is CWOZTRCCMNNVNA-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H11BrF3N.C2H6/c17-9-4-5-10(13(20)8-9)14-6-7-15(21-14)16-11(18)2-1-3-12(16)19;1-2/h1-5,8,14H,6-7H2;1-2H3/t14-;/m1./s1.
What are the key properties of (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane?
(2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane has a molecular weight of 384.24 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-fluorophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole;ethane is sourced from PubChem (CID 143810811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).