1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole

C20H19F2NO — CID 67718943

IUPAC1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole
SMILESCC(OCCn1cccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2NO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h2-13H,14-15H2,1H3
InChIKeyKFVSNCSAKFYVQD-UHFFFAOYSA-N
MW327.37 g/mol
LogP4.75
Rot. Bonds6

About 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole

1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole (PubChem CID 67718943) has the molecular formula C20H19F2NO and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole
PubChem CID67718943
Molecular FormulaC20H19F2NO
Molecular Weight327.37 g/mol
Exact Mass327.14
IUPAC Name1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole
SMILESCC(OCCn1cccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2NO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h2-13H,14-15H2,1H3
InChIKeyKFVSNCSAKFYVQD-UHFFFAOYSA-N
XLogP4.75
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole?
The IUPAC name of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole (CID 67718943) is 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole.
What is the SMILES notation for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole?
The canonical SMILES for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole is CC(OCCn1cccc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole?
The InChIKey is KFVSNCSAKFYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO/c1-20(16-4-8-18(21)9-5-16,17-6-10-19(22)11-7-17)24-15-14-23-12-2-3-13-23/h2-13H,14-15H2,1H3.
What are the key properties of 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole?
1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole has a molecular weight of 327.37 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1,1-bis(4-fluorophenyl)ethoxy]ethyl]pyrrole is sourced from PubChem (CID 67718943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).