N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine

C12H12F6N2O — CID 102723120

IUPACN-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)C(Oc1ccnc(CNC2CC2)c1)C(F)(F)F
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)10(12(16,17)18)21-9-3-4-19-8(5-9)6-20-7-1-2-7/h3-5,7,10,20H,1-2,6H2
InChIKeyUFXBHRLWPINCPX-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.21
Rot. Bonds5

About N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 102723120) has the molecular formula C12H12F6N2O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID102723120
Molecular FormulaC12H12F6N2O
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC NameN-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)(F)C(Oc1ccnc(CNC2CC2)c1)C(F)(F)F
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)10(12(16,17)18)21-9-3-4-19-8(5-9)6-20-7-1-2-7/h3-5,7,10,20H,1-2,6H2
InChIKeyUFXBHRLWPINCPX-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82791835
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295902
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 62293189
N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62290018
N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503016
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine (CID 102723120) is N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine is FC(F)(F)C(Oc1ccnc(CNC2CC2)c1)C(F)(F)F.
What is the InChIKey of N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UFXBHRLWPINCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2O/c13-11(14,15)10(12(16,17)18)21-9-3-4-19-8(5-9)6-20-7-1-2-7/h3-5,7,10,20H,1-2,6H2.
What are the key properties of N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 314.23 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 102723120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).