N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine

C11H13F3N2 — CID 105487646

IUPACN-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine
SMILESFC(F)(F)c1ccc(NC2CCCN2)cc1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-3-5-9(6-4-8)16-10-2-1-7-15-10/h3-6,10,15-16H,1-2,7H2
InChIKeyPNRQPLGJDASCOQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.83
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine

N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine (PubChem CID 105487646) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine
PubChem CID105487646
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine
SMILESFC(F)(F)c1ccc(NC2CCCN2)cc1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-3-5-9(6-4-8)16-10-2-1-7-15-10/h3-6,10,15-16H,1-2,7H2
InChIKeyPNRQPLGJDASCOQ-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine (CID 105487646) is N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine is FC(F)(F)c1ccc(NC2CCCN2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine?
The InChIKey is PNRQPLGJDASCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)8-3-5-9(6-4-8)16-10-2-1-7-15-10/h3-6,10,15-16H,1-2,7H2.
What are the key properties of N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine?
N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine has a molecular weight of 230.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine is sourced from PubChem (CID 105487646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).