1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine

C11H11F4N — CID 71651474

IUPAC1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1cccc(N2CCCC2)c1C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-8-4-3-5-9(10(8)11(13,14)15)16-6-1-2-7-16/h3-5H,1-2,6-7H2
InChIKeyLGBXWYZJOIUUBP-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.44
Rot. Bonds1

About 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine

1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 71651474) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID71651474
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1cccc(N2CCCC2)c1C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-8-4-3-5-9(10(8)11(13,14)15)16-6-1-2-7-16/h3-5H,1-2,6-7H2
InChIKeyLGBXWYZJOIUUBP-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine (CID 71651474) is 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine is Fc1cccc(N2CCCC2)c1C(F)(F)F.
What is the InChIKey of 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is LGBXWYZJOIUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-8-4-3-5-9(10(8)11(13,14)15)16-6-1-2-7-16/h3-5H,1-2,6-7H2.
What are the key properties of 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine?
1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 233.21 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 71651474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).