5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one

C10H13F3N2O2 — CID 66274771

IUPAC5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one
SMILESCC(OCCn1cc(N)ccc1=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-7(10(11,12)13)17-5-4-15-6-8(14)2-3-9(15)16/h2-3,6-7H,4-5,14H2,1H3
InChIKeyQSPBSBUUPWEENV-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.40
Rot. Bonds4

About 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one

5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one (PubChem CID 66274771) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one
PubChem CID66274771
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one
SMILESCC(OCCn1cc(N)ccc1=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-7(10(11,12)13)17-5-4-15-6-8(14)2-3-9(15)16/h2-3,6-7H,4-5,14H2,1H3
InChIKeyQSPBSBUUPWEENV-UHFFFAOYSA-N
XLogP1.40
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 20117994
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyridin-2-one
CID 75501841
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
5-Amino-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539475
5-Amino-1-(difluoromethyl)-3-propoxypyridin-2-one
CID 156564063
N-(1,2-dihydropyridin-5-yl)-2,2,2-trifluoro-N-(1-methoxypropan-2-yl)acetamide
CID 173118295
5-Amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
CID 43259844
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[3-(2,2,3,3-tetrafluoropropoxy)propyl]pyridin-2-one
CID 43260195
5-Amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 43260196
2,2,2-trifluoroethyl N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]carbamate
CID 45835474
3-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 62102937

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one (CID 66274771) is 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one is CC(OCCn1cc(N)ccc1=O)C(F)(F)F.
What is the InChIKey of 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one?
The InChIKey is QSPBSBUUPWEENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-7(10(11,12)13)17-5-4-15-6-8(14)2-3-9(15)16/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one?
5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one has a molecular weight of 250.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]pyridin-2-one is sourced from PubChem (CID 66274771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).