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

C19H21F2NO — CID 827316

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine
SMILESFc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F2NO/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/h3-10,19H,1-2,11-14H2
InChIKeyRKVNCXMGUVAYEF-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.17
Rot. Bonds6

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine (PubChem CID 827316) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine
PubChem CID827316
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine
SMILESFc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21F2NO/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/h3-10,19H,1-2,11-14H2
InChIKeyRKVNCXMGUVAYEF-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine (CID 827316) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine is Fc1ccc(C(OCCN2CCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine?
The InChIKey is RKVNCXMGUVAYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/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/h3-10,19H,1-2,11-14H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine has a molecular weight of 317.38 g/mol, XLogP of 4.17, 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]pyrrolidine is sourced from PubChem (CID 827316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).