2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C12H15F5N4 — CID 58227873

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H15F5N4/c13-11(14)1-3-21(4-2-11)9(5-18)8-6-19-10(20-7-8)12(15,16)17/h6-7,9H,1-5,18H2
InChIKeyFWRVYWZXBFLYKA-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.23
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 58227873) has the molecular formula C12H15F5N4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID58227873
Molecular FormulaC12H15F5N4
Molecular Weight310.27 g/mol
Exact Mass310.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H15F5N4/c13-11(14)1-3-21(4-2-11)9(5-18)8-6-19-10(20-7-8)12(15,16)17/h6-7,9H,1-5,18H2
InChIKeyFWRVYWZXBFLYKA-UHFFFAOYSA-N
XLogP2.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 58227873) is 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is FWRVYWZXBFLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N4/c13-11(14)1-3-21(4-2-11)9(5-18)8-6-19-10(20-7-8)12(15,16)17/h6-7,9H,1-5,18H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 310.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).