1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine

C11H11ClF3N — CID 145131863

IUPAC1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(N2CCCC2)cc1Cl
InChIInChI=1S/C11H11ClF3N/c12-10-7-8(16-5-1-2-6-16)3-4-9(10)11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyTXBGCSBBZBUDAJ-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.96
Rot. Bonds1

About 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine

1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 145131863) has the molecular formula C11H11ClF3N and a molecular weight of 249.66 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID145131863
Molecular FormulaC11H11ClF3N
Molecular Weight249.66 g/mol
Exact Mass249.05
IUPAC Name1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(N2CCCC2)cc1Cl
InChIInChI=1S/C11H11ClF3N/c12-10-7-8(16-5-1-2-6-16)3-4-9(10)11(13,14)15/h3-4,7H,1-2,5-6H2
InChIKeyTXBGCSBBZBUDAJ-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine (CID 145131863) is 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc(N2CCCC2)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is TXBGCSBBZBUDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N/c12-10-7-8(16-5-1-2-6-16)3-4-9(10)11(13,14)15/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine?
1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 249.66 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 145131863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).