5-fluoro-1-propyl-4-(trifluoromethyl)triazole

C6H7F4N3 — CID 69384662

IUPAC5-fluoro-1-propyl-4-(trifluoromethyl)triazole
SMILESCCCn1nnc(C(F)(F)F)c1F
InChIInChI=1S/C6H7F4N3/c1-2-3-13-5(7)4(11-12-13)6(8,9)10/h2-3H2,1H3
InChIKeySEDPEXSVZUOGNZ-UHFFFAOYSA-N
MW197.13 g/mol
LogP1.85
Rot. Bonds2

About 5-fluoro-1-propyl-4-(trifluoromethyl)triazole

5-fluoro-1-propyl-4-(trifluoromethyl)triazole (PubChem CID 69384662) has the molecular formula C6H7F4N3 and a molecular weight of 197.13 g/mol. Its IUPAC name is 5-fluoro-1-propyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name5-fluoro-1-propyl-4-(trifluoromethyl)triazole
PubChem CID69384662
Molecular FormulaC6H7F4N3
Molecular Weight197.13 g/mol
Exact Mass197.06
IUPAC Name5-fluoro-1-propyl-4-(trifluoromethyl)triazole
SMILESCCCn1nnc(C(F)(F)F)c1F
InChIInChI=1S/C6H7F4N3/c1-2-3-13-5(7)4(11-12-13)6(8,9)10/h2-3H2,1H3
InChIKeySEDPEXSVZUOGNZ-UHFFFAOYSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propyl-4-(trifluoromethyl)triazole?
The IUPAC name of 5-fluoro-1-propyl-4-(trifluoromethyl)triazole (CID 69384662) is 5-fluoro-1-propyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 5-fluoro-1-propyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 5-fluoro-1-propyl-4-(trifluoromethyl)triazole is CCCn1nnc(C(F)(F)F)c1F.
What is the InChIKey of 5-fluoro-1-propyl-4-(trifluoromethyl)triazole?
The InChIKey is SEDPEXSVZUOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3/c1-2-3-13-5(7)4(11-12-13)6(8,9)10/h2-3H2,1H3.
What are the key properties of 5-fluoro-1-propyl-4-(trifluoromethyl)triazole?
5-fluoro-1-propyl-4-(trifluoromethyl)triazole has a molecular weight of 197.13 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69384662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).