tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate

C14H20F2N2O2 — CID 118560206

IUPACtert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate
SMILESCN(CC(F)F)c1ccc(CC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H20F2N2O2/c1-14(2,3)20-13(19)7-10-5-6-12(17-8-10)18(4)9-11(15)16/h5-6,8,11H,7,9H2,1-4H3
InChIKeyGYJWKWJOAMONOT-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.67
Rot. Bonds5

About tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate

tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate (PubChem CID 118560206) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate
PubChem CID118560206
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Nametert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate
SMILESCN(CC(F)F)c1ccc(CC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H20F2N2O2/c1-14(2,3)20-13(19)7-10-5-6-12(17-8-10)18(4)9-11(15)16/h5-6,8,11H,7,9H2,1-4H3
InChIKeyGYJWKWJOAMONOT-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
CID 2777788
(6-Aminopyridin-3-yl)acetic acid
CID 12562075
(1-Oxo-1-phenylpropan-2-yl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16285159
Phenacyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 9104185
2-Amino-3-pyridineacetic acid
CID 14739552
3-[2-(Diethylamino)-4-pyridyl]propanoic acid
CID 90487991
3'-Trifluoromethyl-3,4,5,6-Tetrahydro-2H-[1,2']Bipyridinyl-4-Carboxylic Acid
CID 11288815
2-(6-{[(Tert-butoxy)carbonyl]amino}pyridin-3-yl)acetic acid
CID 53401511
2-(6-Aminopyridin-3-yl)-2-methylpropanoic acid hydrochloride
CID 67130849
2-(2-(((Tert-butoxy)carbonyl)amino)pyridin-3-yl)acetic acid
CID 75525935
Ethyl 1-[3-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
CID 57360961
Tert-butyl 2-[6-(trifluoromethyl)pyridin-3-yl]acetate
CID 118982159

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate (CID 118560206) is tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate is CN(CC(F)F)c1ccc(CC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate?
The InChIKey is GYJWKWJOAMONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-14(2,3)20-13(19)7-10-5-6-12(17-8-10)18(4)9-11(15)16/h5-6,8,11H,7,9H2,1-4H3.
What are the key properties of tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate?
tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate has a molecular weight of 286.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[6-[2,2-difluoroethyl(methyl)amino]-3-pyridinyl]acetate is sourced from PubChem (CID 118560206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).