[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine

C11H14F3N3 — CID 66330460

IUPAC[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-1-3-16-10(5-9)17-4-2-8(6-15)7-17/h1,3,5,8H,2,4,6-7,15H2
InChIKeyQULXSGGXCMIPMS-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.89
Rot. Bonds2

About [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine

[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine (PubChem CID 66330460) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
PubChem CID66330460
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-1-3-16-10(5-9)17-4-2-8(6-15)7-17/h1,3,5,8H,2,4,6-7,15H2
InChIKeyQULXSGGXCMIPMS-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine (CID 66330460) is [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine is NCC1CCN(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine?
The InChIKey is QULXSGGXCMIPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)9-1-3-16-10(5-9)17-4-2-8(6-15)7-17/h1,3,5,8H,2,4,6-7,15H2.
What are the key properties of [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine?
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine has a molecular weight of 245.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66330460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).