N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C5H4F5N3S — CID 114448679

IUPACN-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H4F5N3S/c6-2(7)1-11-4-13-12-3(14-4)5(8,9)10/h2H,1H2,(H,11,13)
InChIKeyVYQIHGHZRSMSAP-UHFFFAOYSA-N
MW233.17 g/mol
LogP2.23
Rot. Bonds3

About N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448679) has the molecular formula C5H4F5N3S and a molecular weight of 233.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448679
Molecular FormulaC5H4F5N3S
Molecular Weight233.17 g/mol
Exact Mass233.00
IUPAC NameN-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H4F5N3S/c6-2(7)1-11-4-13-12-3(14-4)5(8,9)10/h2H,1H2,(H,11,13)
InChIKeyVYQIHGHZRSMSAP-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448679) is N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VYQIHGHZRSMSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F5N3S/c6-2(7)1-11-4-13-12-3(14-4)5(8,9)10/h2H,1H2,(H,11,13).
What are the key properties of N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 233.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).