1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine

C11H16F2N2O — CID 82005131

IUPAC1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(OCC(F)F)c1ccccn1
InChIInChI=1S/C11H16F2N2O/c1-2-8(14)11(16-7-10(12)13)9-5-3-4-6-15-9/h3-6,8,10-11H,2,7,14H2,1H3
InChIKeyKQQCIISSXZLRSV-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.14
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine

1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine (PubChem CID 82005131) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
PubChem CID82005131
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(OCC(F)F)c1ccccn1
InChIInChI=1S/C11H16F2N2O/c1-2-8(14)11(16-7-10(12)13)9-5-3-4-6-15-9/h3-6,8,10-11H,2,7,14H2,1H3
InChIKeyKQQCIISSXZLRSV-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
CID 102605618
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
CID 64729371
2-amino-3-(methoxymethoxy)-3-pyridin-2-ylpropan-1-ol
CID 140762682
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
ethane;2-pentan-3-ylpyridine
CID 142883968
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
2-(1-fluorobutyl)pyridine
CID 66584665
2-(2-ethyl-1-methoxypentyl)pyridine
CID 144608669

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine (CID 82005131) is 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine is CCC(N)C(OCC(F)F)c1ccccn1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine?
The InChIKey is KQQCIISSXZLRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-2-8(14)11(16-7-10(12)13)9-5-3-4-6-15-9/h3-6,8,10-11H,2,7,14H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine?
1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine has a molecular weight of 230.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 82005131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).