N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine

C11H13F3N2O2 — CID 114156912

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine
SMILESCC1(C)OCC(CNc2nc(F)c(F)cc2F)O1
InChIInChI=1S/C11H13F3N2O2/c1-11(2)17-5-6(18-11)4-15-10-8(13)3-7(12)9(14)16-10/h3,6H,4-5H2,1-2H3,(H,15,16)
InChIKeyIXMAFGMTHDFJKV-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.06
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine (PubChem CID 114156912) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine
PubChem CID114156912
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine
SMILESCC1(C)OCC(CNc2nc(F)c(F)cc2F)O1
InChIInChI=1S/C11H13F3N2O2/c1-11(2)17-5-6(18-11)4-15-10-8(13)3-7(12)9(14)16-10/h3,6H,4-5H2,1-2H3,(H,15,16)
InChIKeyIXMAFGMTHDFJKV-UHFFFAOYSA-N
XLogP2.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine 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-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106196976
1-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-fluorobenzene-1,2,4-triamine
CID 140767080
2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyrimidin-4-amine
CID 106196952
2,5-dichloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine
CID 106196955
2-N,5-N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,6-bis[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]pyrazine-2,5-dicarboxamide
CID 53387076
5-bromo-2-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrimidin-4-amine
CID 106196985
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107389737
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-methylpyridine-4-carbonitrile
CID 107389733
4-bromo-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,5-dimethylaniline
CID 66817886
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
CID 104772350
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-thiazol-2-amine
CID 107389713
6-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylpyrimidin-4-amine
CID 114156920

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine (CID 114156912) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine is CC1(C)OCC(CNc2nc(F)c(F)cc2F)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine?
The InChIKey is IXMAFGMTHDFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-11(2)17-5-6(18-11)4-15-10-8(13)3-7(12)9(14)16-10/h3,6H,4-5H2,1-2H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 114156912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).