1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine

C17H16F3NO — CID 168512748

IUPAC1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(Oc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)13-3-7-15(8-4-13)22-16-9-5-14(6-10-16)21-11-1-2-12-21/h3-10H,1-2,11-12H2
InChIKeyHFGSSEXCPDLZIT-UHFFFAOYSA-N
MW307.31 g/mol
LogP5.10
Rot. Bonds3

About 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine

1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine (PubChem CID 168512748) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
PubChem CID168512748
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(Oc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)13-3-7-15(8-4-13)22-16-9-5-14(6-10-16)21-11-1-2-12-21/h3-10H,1-2,11-12H2
InChIKeyHFGSSEXCPDLZIT-UHFFFAOYSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.31
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine?
The IUPAC name of 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine (CID 168512748) is 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine?
The canonical SMILES for 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine is FC(F)(F)c1ccc(Oc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine?
The InChIKey is HFGSSEXCPDLZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)13-3-7-15(8-4-13)22-16-9-5-14(6-10-16)21-11-1-2-12-21/h3-10H,1-2,11-12H2.
What are the key properties of 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine?
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine has a molecular weight of 307.31 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine is sourced from PubChem (CID 168512748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).