3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one

C10H13F3N2O2 — CID 62100972

IUPAC3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
SMILESNc1cccn(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-6-2-5-15-4-1-3-8(14)9(15)16/h1,3-4H,2,5-7,14H2
InChIKeyWLBLWPVFDFVLEK-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.40
Rot. Bonds5

About 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one

3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one (PubChem CID 62100972) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
PubChem CID62100972
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
SMILESNc1cccn(CCCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-6-2-5-15-4-1-3-8(14)9(15)16/h1,3-4H,2,5-7,14H2
InChIKeyWLBLWPVFDFVLEK-UHFFFAOYSA-N
XLogP1.40
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one
CID 62101459
3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 62101956
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
3-Amino-6-trifluoromethyl-1-allyl-2-pyridinone
CID 18926409
3-Amino-1-(4,4,4-trifluorobutyl)-1,2-dihydropyridin-2-one
CID 115513885
3-Amino-5-fluoro-1-(2-methoxyethyl)pyridin-2-one
CID 118155161
3-Amino-5-fluoro-1-(oxan-4-yl)pyridin-2-one
CID 137450858
3-Amino-1-(3,3-difluorocyclobutyl)pyridin-2(1H)-one
CID 137457289
3-Amino-1-(1,5-difluoropentan-3-yl)pyridin-2-one
CID 153566577
3-Amino-1-(1-fluoropropyl)pyridin-2-one
CID 164554651
3-Amino-1-(2,2-difluorocyclopropyl)pyridin-2-one;hydrochloride
CID 164554871
3-Amino-1-(2,2-difluorocyclopropyl)pyridin-2-one
CID 164554872

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one (CID 62100972) is 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one is Nc1cccn(CCCOCC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
The InChIKey is WLBLWPVFDFVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-6-2-5-15-4-1-3-8(14)9(15)16/h1,3-4H,2,5-7,14H2.
What are the key properties of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one?
3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one has a molecular weight of 250.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one is sourced from PubChem (CID 62100972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).