(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine

C11H12F3N — CID 71742225

IUPAC(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc([C@@H]2CCNC2)cc1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2/t9-/m1/s1
InChIKeyMMHBTMCYKWWNNS-SECBINFHSA-N
MW215.22 g/mol
LogP2.78
Rot. Bonds1

About (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine

(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 71742225) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID71742225
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc([C@@H]2CCNC2)cc1
InChIInChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2/t9-/m1/s1
InChIKeyMMHBTMCYKWWNNS-SECBINFHSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 71742225) is (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc([C@@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is MMHBTMCYKWWNNS-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2/t9-/m1/s1.
What are the key properties of (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine?
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 71742225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).