3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine

C6H7F2N3S — CID 139434807

IUPAC3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2nncs2)CC(F)(F)C1
InChIInChI=1S/C6H7F2N3S/c7-6(8)1-5(9,2-6)4-11-10-3-12-4/h3H,1-2,9H2
InChIKeyLIVMWRLYIBKHSB-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.12
Rot. Bonds1

About 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine

3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine (PubChem CID 139434807) has the molecular formula C6H7F2N3S and a molecular weight of 191.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
PubChem CID139434807
Molecular FormulaC6H7F2N3S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Name3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2nncs2)CC(F)(F)C1
InChIInChI=1S/C6H7F2N3S/c7-6(8)1-5(9,2-6)4-11-10-3-12-4/h3H,1-2,9H2
InChIKeyLIVMWRLYIBKHSB-UHFFFAOYSA-N
XLogP1.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine (CID 139434807) is 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine is NC1(c2nncs2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
The InChIKey is LIVMWRLYIBKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S/c7-6(8)1-5(9,2-6)4-11-10-3-12-4/h3H,1-2,9H2.
What are the key properties of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine?
3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine has a molecular weight of 191.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 139434807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).