4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine

C10H10ClF3N2O2 — CID 126954031

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine
SMILESNC1COCC1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-6-1-5(10(12,13)14)2-16-9(6)18-8-4-17-3-7(8)15/h1-2,7-8H,3-4,15H2
InChIKeyQZYFLPKLCDYFMI-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.86
Rot. Bonds2

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine (PubChem CID 126954031) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine
PubChem CID126954031
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine
SMILESNC1COCC1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-6-1-5(10(12,13)14)2-16-9(6)18-8-4-17-3-7(8)15/h1-2,7-8H,3-4,15H2
InChIKeyQZYFLPKLCDYFMI-UHFFFAOYSA-N
XLogP1.86
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
CID 118120716
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine
CID 125471389
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
CID 70874734
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine (CID 126954031) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine is NC1COCC1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine?
The InChIKey is QZYFLPKLCDYFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-6-1-5(10(12,13)14)2-16-9(6)18-8-4-17-3-7(8)15/h1-2,7-8H,3-4,15H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine has a molecular weight of 282.65 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]oxolan-3-amine is sourced from PubChem (CID 126954031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).