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

C6H8ClF2N3S — CID 139434846

IUPAC3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride
SMILESNC1(c2nncs2)CC(F)(F)C1.[Cl-].[H+]
InChIInChI=1S/C6H7F2N3S.ClH/c7-6(8)1-5(9,2-6)4-11-10-3-12-4;/h3H,1-2,9H2;1H
InChIKeyBSSQKUDUXXUVIZ-UHFFFAOYSA-N
MW227.67 g/mol
LogP-1.76
Rot. Bonds1

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

3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride (PubChem CID 139434846) has the molecular formula C6H8ClF2N3S and a molecular weight of 227.67 g/mol. Its IUPAC name is 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride.

Molecular Properties

Compound Name3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride
PubChem CID139434846
Molecular FormulaC6H8ClF2N3S
Molecular Weight227.67 g/mol
Exact Mass227.01
IUPAC Name3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride
SMILESNC1(c2nncs2)CC(F)(F)C1.[Cl-].[H+]
InChIInChI=1S/C6H7F2N3S.ClH/c7-6(8)1-5(9,2-6)4-11-10-3-12-4;/h3H,1-2,9H2;1H
InChIKeyBSSQKUDUXXUVIZ-UHFFFAOYSA-N
XLogP-1.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 5-1.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139434807
N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 139525416
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine hydrochloride
CID 153433686
1-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclobutan-1-amine
CID 130563645
2,4-Difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride
CID 175421772

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride?
The IUPAC name of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride (CID 139434846) is 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride.
What is the SMILES notation for 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride?
The canonical SMILES for 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride is NC1(c2nncs2)CC(F)(F)C1.[Cl-].[H+].
What is the InChIKey of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride?
The InChIKey is BSSQKUDUXXUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S.ClH/c7-6(8)1-5(9,2-6)4-11-10-3-12-4;/h3H,1-2,9H2;1H.
What are the key properties of 3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride?
3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydron;chloride has a molecular weight of 227.67 g/mol, XLogP of -1.76, 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;hydron;chloride is sourced from PubChem (CID 139434846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).