N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

C6H8F4N2S — CID 106294910

IUPACN-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)C(F)(F)CNC1=NCCS1
InChIInChI=1S/C6H8F4N2S/c7-4(8)6(9,10)3-12-5-11-1-2-13-5/h4H,1-3H2,(H,11,12)
InChIKeyHECCTNBYAWEICQ-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.58
Rot. Bonds3

About N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106294910) has the molecular formula C6H8F4N2S and a molecular weight of 216.20 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106294910
Molecular FormulaC6H8F4N2S
Molecular Weight216.20 g/mol
Exact Mass216.03
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)C(F)(F)CNC1=NCCS1
InChIInChI=1S/C6H8F4N2S/c7-4(8)6(9,10)3-12-5-11-1-2-13-5/h4H,1-3H2,(H,11,12)
InChIKeyHECCTNBYAWEICQ-UHFFFAOYSA-N
XLogP1.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 106294910) is N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is FC(F)C(F)(F)CNC1=NCCS1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HECCTNBYAWEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2S/c7-4(8)6(9,10)3-12-5-11-1-2-13-5/h4H,1-3H2,(H,11,12).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 216.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106294910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).