N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

C9H11F4N3OS — CID 80624660

IUPACN-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COc1nnc(CNC2CC2)s1
InChIInChI=1S/C9H11F4N3OS/c10-7(11)9(12,13)4-17-8-16-15-6(18-8)3-14-5-1-2-5/h5,7,14H,1-4H2
InChIKeyIYDHTAGZHGGHPZ-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.07
Rot. Bonds7

About N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 80624660) has the molecular formula C9H11F4N3OS and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
PubChem CID80624660
Molecular FormulaC9H11F4N3OS
Molecular Weight285.27 g/mol
Exact Mass285.06
IUPAC NameN-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
SMILESFC(F)C(F)(F)COc1nnc(CNC2CC2)s1
InChIInChI=1S/C9H11F4N3OS/c10-7(11)9(12,13)4-17-8-16-15-6(18-8)3-14-5-1-2-5/h5,7,14H,1-4H2
InChIKeyIYDHTAGZHGGHPZ-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine (CID 80624660) is N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is FC(F)C(F)(F)COc1nnc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is IYDHTAGZHGGHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3OS/c10-7(11)9(12,13)4-17-8-16-15-6(18-8)3-14-5-1-2-5/h5,7,14H,1-4H2.
What are the key properties of N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 285.27 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2,3,3-tetrafluoropropoxy)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80624660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).