4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole

C7H9F4N3 — CID 115394961

IUPAC4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
SMILESCCCn1cnnc1C(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3/c1-2-3-14-4-12-13-6(14)7(10,11)5(8)9/h4-5H,2-3H2,1H3
InChIKeyCHVWODRTFQLFDG-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.05
Rot. Bonds4

About 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole

4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole (PubChem CID 115394961) has the molecular formula C7H9F4N3 and a molecular weight of 211.16 g/mol. Its IUPAC name is 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
PubChem CID115394961
Molecular FormulaC7H9F4N3
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
SMILESCCCn1cnnc1C(F)(F)C(F)F
InChIInChI=1S/C7H9F4N3/c1-2-3-14-4-12-13-6(14)7(10,11)5(8)9/h4-5H,2-3H2,1H3
InChIKeyCHVWODRTFQLFDG-UHFFFAOYSA-N
XLogP2.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.05
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-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole
CID 130561805
N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62817837
1-cyclopropyl-1-(4-propyl-1,2,4-triazol-3-yl)ethanamine
CID 64667693
3-(1,1-difluoroethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 130702263
3-(2,3,4,5,6-pentafluorophenyl)-4-propyl-1,2,4-triazole
CID 115395009
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
4-propyl-1,2,4-triazole-3-carbaldehyde
CID 22938686
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
4-propyl-3-(3,4,5-trifluorophenyl)-1,2,4-triazole
CID 113301320
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477

Frequently Asked Questions

What is the IUPAC name of 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
The IUPAC name of 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole (CID 115394961) is 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
The canonical SMILES for 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole is CCCn1cnnc1C(F)(F)C(F)F.
What is the InChIKey of 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
The InChIKey is CHVWODRTFQLFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4N3/c1-2-3-14-4-12-13-6(14)7(10,11)5(8)9/h4-5H,2-3H2,1H3.
What are the key properties of 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole has a molecular weight of 211.16 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 115394961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).