N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

C11H14F4N2OS — CID 55077459

IUPACN-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COCc1csc(CNC2CC2)n1
InChIInChI=1S/C11H14F4N2OS/c12-10(13)11(14,15)6-18-4-8-5-19-9(17-8)3-16-7-1-2-7/h5,7,10,16H,1-4,6H2
InChIKeyHDNFUVPDJZCVIO-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.81
Rot. Bonds8

About N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55077459) has the molecular formula C11H14F4N2OS and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID55077459
Molecular FormulaC11H14F4N2OS
Molecular Weight298.31 g/mol
Exact Mass298.08
IUPAC NameN-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COCc1csc(CNC2CC2)n1
InChIInChI=1S/C11H14F4N2OS/c12-10(13)11(14,15)6-18-4-8-5-19-9(17-8)3-16-7-1-2-7/h5,7,10,16H,1-4,6H2
InChIKeyHDNFUVPDJZCVIO-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 55077459) is N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is FC(F)C(F)(F)COCc1csc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is HDNFUVPDJZCVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2OS/c12-10(13)11(14,15)6-18-4-8-5-19-9(17-8)3-16-7-1-2-7/h5,7,10,16H,1-4,6H2.
What are the key properties of N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 298.31 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55077459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).