(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

C11H15F5N2O3 — CID 134519625

IUPAC(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESNC1(C(=O)N2CCC(F)(F)CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14F2N2O.C2HF3O2/c10-9(11)3-5-13(6-4-9)7(14)8(12)1-2-8;3-2(4,5)1(6)7/h1-6,12H2;(H,6,7)
InChIKeyCVUMYPJWQXFEHX-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.37
Rot. Bonds1

About (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid

(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 134519625) has the molecular formula C11H15F5N2O3 and a molecular weight of 318.24 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID134519625
Molecular FormulaC11H15F5N2O3
Molecular Weight318.24 g/mol
Exact Mass318.10
IUPAC Name(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESNC1(C(=O)N2CCC(F)(F)CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14F2N2O.C2HF3O2/c10-9(11)3-5-13(6-4-9)7(14)8(12)1-2-8;3-2(4,5)1(6)7/h1-6,12H2;(H,6,7)
InChIKeyCVUMYPJWQXFEHX-UHFFFAOYSA-N
XLogP1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid 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 (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 134519625) is (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is NC1(C(=O)N2CCC(F)(F)CC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is CVUMYPJWQXFEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O.C2HF3O2/c10-9(11)3-5-13(6-4-9)7(14)8(12)1-2-8;3-2(4,5)1(6)7/h1-6,12H2;(H,6,7).
What are the key properties of (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 318.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134519625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).