4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride

C11H15Cl2F3N2O — CID 159831242

IUPAC4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccc(C(F)(F)F)cn2)CCOCC1
InChIInChI=1S/C11H13F3N2O.2ClH/c12-11(13,14)8-1-2-9(16-7-8)10(15)3-5-17-6-4-10;;/h1-2,7H,3-6,15H2;2*1H
InChIKeyNXJRMXSTAYVWBQ-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.91
Rot. Bonds1

About 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride

4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride (PubChem CID 159831242) has the molecular formula C11H15Cl2F3N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride
PubChem CID159831242
Molecular FormulaC11H15Cl2F3N2O
Molecular Weight319.15 g/mol
Exact Mass318.05
IUPAC Name4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride
SMILESCl.Cl.NC1(c2ccc(C(F)(F)F)cn2)CCOCC1
InChIInChI=1S/C11H13F3N2O.2ClH/c12-11(13,14)8-1-2-9(16-7-8)10(15)3-5-17-6-4-10;;/h1-2,7H,3-6,15H2;2*1H
InChIKeyNXJRMXSTAYVWBQ-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-pyridin-2-yl-1,4-dioxonan-7-amine
CID 134570717
1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 112706925
4-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]oxan-4-amine;dihydrochloride
CID 159662815
7-pyrazin-2-yl-1,4-dioxonan-7-amine
CID 134570495
N-[5-(trifluoromethyl)-2-pyridinyl]morpholin-4-amine
CID 78908037
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
1-(5-chloro-2-pyridinyl)cyclopropan-1-amine
CID 55264745
6-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[4.1.0]heptane
CID 166003209
N-[6-(4-fluorooxan-4-yl)-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86692581
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 126539387

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride?
The IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride (CID 159831242) is 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride?
The canonical SMILES for 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride is Cl.Cl.NC1(c2ccc(C(F)(F)F)cn2)CCOCC1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride?
The InChIKey is NXJRMXSTAYVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.2ClH/c12-11(13,14)8-1-2-9(16-7-8)10(15)3-5-17-6-4-10;;/h1-2,7H,3-6,15H2;2*1H.
What are the key properties of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride?
4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride has a molecular weight of 319.15 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine;dihydrochloride is sourced from PubChem (CID 159831242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).