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

C19H17F2NO — CID 18925533

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole
SMILESFc1ccc(C(OCCn2cccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17F2NO/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22/h1-12,19H,13-14H2
InChIKeyXMFNHIOGVQNDDP-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.57
Rot. Bonds6

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole (PubChem CID 18925533) has the molecular formula C19H17F2NO and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole
PubChem CID18925533
Molecular FormulaC19H17F2NO
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole
SMILESFc1ccc(C(OCCn2cccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17F2NO/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22/h1-12,19H,13-14H2
InChIKeyXMFNHIOGVQNDDP-UHFFFAOYSA-N
XLogP4.57
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole (CID 18925533) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole is Fc1ccc(C(OCCn2cccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole?
The InChIKey is XMFNHIOGVQNDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22/h1-12,19H,13-14H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole has a molecular weight of 313.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrole is sourced from PubChem (CID 18925533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).