3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide

C13H14F5N3O2 — CID 178036120

IUPAC3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1CC(F)(F)C1)c1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C13H14F5N3O2/c1-7(21-11(22)8-3-12(14,15)4-8)9-2-10(20-6-19-9)23-5-13(16,17)18/h2,6-8H,3-5H2,1H3,(H,21,22)
InChIKeyUNHLKSCIGZTYNF-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.64
Rot. Bonds5

About 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide

3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide (PubChem CID 178036120) has the molecular formula C13H14F5N3O2 and a molecular weight of 339.26 g/mol. Its IUPAC name is 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide
PubChem CID178036120
Molecular FormulaC13H14F5N3O2
Molecular Weight339.26 g/mol
Exact Mass339.10
IUPAC Name3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1CC(F)(F)C1)c1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C13H14F5N3O2/c1-7(21-11(22)8-3-12(14,15)4-8)9-2-10(20-6-19-9)23-5-13(16,17)18/h2,6-8H,3-5H2,1H3,(H,21,22)
InChIKeyUNHLKSCIGZTYNF-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2-difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanol
CID 172563259
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
CID 119348545
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
1-[2-hydroxy-1-[2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]-3-spiro[2.3]hexan-5-ylurea
CID 166520284
3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
CID 130834234
trans-(1R,2R)-2-(4-methoxy-3-methylphenyl)-N-[1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 146460843
2-(cyclopropanecarbonylamino)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67511192
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclobutane-1-carboxamide
CID 164821522
tert-butyl 4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 66747847

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide (CID 178036120) is 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1CC(F)(F)C1)c1cc(OCC(F)(F)F)ncn1.
What is the InChIKey of 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide?
The InChIKey is UNHLKSCIGZTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N3O2/c1-7(21-11(22)8-3-12(14,15)4-8)9-2-10(20-6-19-9)23-5-13(16,17)18/h2,6-8H,3-5H2,1H3,(H,21,22).
What are the key properties of 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 178036120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).