4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C7H2F10N2S — CID 91739874

IUPAC4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC1=NC(F)(C(F)(F)F)C(=C(C(F)(F)F)C(F)(F)F)S1
InChIInChI=1S/C7H2F10N2S/c8-4(7(15,16)17)2(20-3(18)19-4)1(5(9,10)11)6(12,13)14/h(H2,18,19)
InChIKeyHPIIDCLTGQCNPS-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.65
Rot. Bonds

About 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine

4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 91739874) has the molecular formula C7H2F10N2S and a molecular weight of 336.15 g/mol. Its IUPAC name is 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID91739874
Molecular FormulaC7H2F10N2S
Molecular Weight336.15 g/mol
Exact Mass335.98
IUPAC Name4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNC1=NC(F)(C(F)(F)F)C(=C(C(F)(F)F)C(F)(F)F)S1
InChIInChI=1S/C7H2F10N2S/c8-4(7(15,16)17)2(20-3(18)19-4)1(5(9,10)11)6(12,13)14/h(H2,18,19)
InChIKeyHPIIDCLTGQCNPS-UHFFFAOYSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-1,3-thiazol-2-amine
CID 12139965
2-Imino-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-1,3-thiazolidine
CID 4200411
4,5-Dihydro-5-(tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-2-thiazolamine
CID 6034814
(e)-2-Amino-4,4-bis(trifluoromethyl)-4,5-dihydro-5-(1-aminotrifluoroethylidene)thiazole
CID 15039027
2-Amino-4-(1,2,2,2-tetrafluoroethylidene)-5,5-bis(trifluoromethyl)-4,5-dihydrothiazole
CID 129742168
(5Z)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
CID 88403291
(5E)-4-methyl-5-(1,2,2,2-tetrafluoroethylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 162565608

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 91739874) is 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine is NC1=NC(F)(C(F)(F)F)C(=C(C(F)(F)F)C(F)(F)F)S1.
What is the InChIKey of 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is HPIIDCLTGQCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10N2S/c8-4(7(15,16)17)2(20-3(18)19-4)1(5(9,10)11)6(12,13)14/h(H2,18,19).
What are the key properties of 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 336.15 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 91739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).