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

C6H8ClF2N3S — CID 175421772

IUPAC2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1C(F)C(c2nncs2)C1F
InChIInChI=1S/C6H7F2N3S.ClH/c7-3-2(4(8)5(3)9)6-11-10-1-12-6;/h1-5H,9H2;1H
InChIKeyXUUCPYQJMWZXAC-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.06
Rot. Bonds1

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

2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride (PubChem CID 175421772) has the molecular formula C6H8ClF2N3S and a molecular weight of 227.67 g/mol. Its IUPAC name is 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride
PubChem CID175421772
Molecular FormulaC6H8ClF2N3S
Molecular Weight227.67 g/mol
Exact Mass227.01
IUPAC Name2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1C(F)C(c2nncs2)C1F
InChIInChI=1S/C6H7F2N3S.ClH/c7-3-2(4(8)5(3)9)6-11-10-1-12-6;/h1-5H,9H2;1H
InChIKeyXUUCPYQJMWZXAC-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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;hydron;chloride
CID 139434846
3,3-Difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine hydrochloride
CID 153433686
2,4-Difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine
CID 175421773
3-Methyl-1-(1,3,4-thiadiazol-2-yl)butan-2-amine
CID 64157611
2-(1,3,4-Thiadiazol-2-yl)pentan-3-amine
CID 64159602

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride (CID 175421772) is 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride is Cl.NC1C(F)C(c2nncs2)C1F.
What is the InChIKey of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride?
The InChIKey is XUUCPYQJMWZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3S.ClH/c7-3-2(4(8)5(3)9)6-11-10-1-12-6;/h1-5H,9H2;1H.
What are the key properties of 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride?
2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride has a molecular weight of 227.67 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 175421772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).