3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole

C8H10ClF4N3 — CID 106291263

IUPAC3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC(F)(F)C(F)F
InChIInChI=1S/C8H10ClF4N3/c1-2-3-5-14-15-7(9)16(5)4-8(12,13)6(10)11/h6H,2-4H2,1H3
InChIKeyZPGJDYQCEYHHKN-UHFFFAOYSA-N
MW259.63 g/mol
LogP2.78
Rot. Bonds5

About 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole

3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole (PubChem CID 106291263) has the molecular formula C8H10ClF4N3 and a molecular weight of 259.63 g/mol. Its IUPAC name is 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole
PubChem CID106291263
Molecular FormulaC8H10ClF4N3
Molecular Weight259.63 g/mol
Exact Mass259.05
IUPAC Name3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1CC(F)(F)C(F)F
InChIInChI=1S/C8H10ClF4N3/c1-2-3-5-14-15-7(9)16(5)4-8(12,13)6(10)11/h6H,2-4H2,1H3
InChIKeyZPGJDYQCEYHHKN-UHFFFAOYSA-N
XLogP2.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 12117503
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
4-Propan-2-yl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811635
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539572
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-1,3-dimethyl-1,2,4-triazole
CID 59585176
3,4-Dimethyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59887060
3-(3-Fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 67234435

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole (CID 106291263) is 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole is CCCc1nnc(Cl)n1CC(F)(F)C(F)F.
What is the InChIKey of 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole?
The InChIKey is ZPGJDYQCEYHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF4N3/c1-2-3-5-14-15-7(9)16(5)4-8(12,13)6(10)11/h6H,2-4H2,1H3.
What are the key properties of 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole?
3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole has a molecular weight of 259.63 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propyl-4-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazole is sourced from PubChem (CID 106291263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).