N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine

C13H16F4N2O — CID 106907736

IUPACN-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COCc1cccc(CNC2CC2)n1
InChIInChI=1S/C13H16F4N2O/c14-12(15)13(16,17)8-20-7-11-3-1-2-10(19-11)6-18-9-4-5-9/h1-3,9,12,18H,4-8H2
InChIKeyGNYOTBACGDFWHD-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.75
Rot. Bonds8

About N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106907736) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106907736
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC NameN-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COCc1cccc(CNC2CC2)n1
InChIInChI=1S/C13H16F4N2O/c14-12(15)13(16,17)8-20-7-11-3-1-2-10(19-11)6-18-9-4-5-9/h1-3,9,12,18H,4-8H2
InChIKeyGNYOTBACGDFWHD-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine (CID 106907736) is N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine is FC(F)C(F)(F)COCc1cccc(CNC2CC2)n1.
What is the InChIKey of N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is GNYOTBACGDFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-12(15)13(16,17)8-20-7-11-3-1-2-10(19-11)6-18-9-4-5-9/h1-3,9,12,18H,4-8H2.
What are the key properties of N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 292.28 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106907736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).