1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C11H13F3N2 — CID 43315019

IUPAC1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-6-5-8(15)7-16/h1-4,8H,5-7,15H2
InChIKeyDPMBAWPRMCHMCH-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.24
Rot. Bonds1

About 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 43315019) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID43315019
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-6-5-8(15)7-16/h1-4,8H,5-7,15H2
InChIKeyDPMBAWPRMCHMCH-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 43315019) is 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is NC1CCN(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is DPMBAWPRMCHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-6-5-8(15)7-16/h1-4,8H,5-7,15H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 43315019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).