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

C6H7F4N3 — CID 69382881

IUPAC4-fluoro-1-propyl-5-(trifluoromethyl)triazole
SMILESCCCn1nnc(F)c1C(F)(F)F
InChIInChI=1S/C6H7F4N3/c1-2-3-13-4(6(8,9)10)5(7)11-12-13/h2-3H2,1H3
InChIKeyJFMMBJITTUGKPB-UHFFFAOYSA-N
MW197.13 g/mol
LogP1.85
Rot. Bonds2

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

4-fluoro-1-propyl-5-(trifluoromethyl)triazole (PubChem CID 69382881) has the molecular formula C6H7F4N3 and a molecular weight of 197.13 g/mol. Its IUPAC name is 4-fluoro-1-propyl-5-(trifluoromethyl)triazole.

Molecular Properties

Compound Name4-fluoro-1-propyl-5-(trifluoromethyl)triazole
PubChem CID69382881
Molecular FormulaC6H7F4N3
Molecular Weight197.13 g/mol
Exact Mass197.06
IUPAC Name4-fluoro-1-propyl-5-(trifluoromethyl)triazole
SMILESCCCn1nnc(F)c1C(F)(F)F
InChIInChI=1S/C6H7F4N3/c1-2-3-13-4(6(8,9)10)5(7)11-12-13/h2-3H2,1H3
InChIKeyJFMMBJITTUGKPB-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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Related Compounds

1-Methyl-4,5-bis(trifluoromethyl)triazole
CID 14489365
1,4-Dimethyl-5-(trifluoromethyl)triazole
CID 20719662
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
1-Butyl-4-fluoro-5-(trifluoromethyl)triazole
CID 69381703
3-Ethyl-5-fluorotriazole-4-carbonitrile
CID 69381924
5-Fluoro-3-propyltriazole-4-carbonitrile
CID 69381968
4-Fluoro-1-hexyl-5-(trifluoromethyl)triazole
CID 69382026
5-Methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
CID 69382496
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382511
1,5-Dimethyl-4-(trifluoromethyl)triazole
CID 69382668
5-Fluoro-1-methyl-4-(trifluoromethyl)triazole
CID 69382770
4-Fluoro-5-methyl-1-propan-2-yltriazole
CID 69382805

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-propyl-5-(trifluoromethyl)triazole?
The IUPAC name of 4-fluoro-1-propyl-5-(trifluoromethyl)triazole (CID 69382881) is 4-fluoro-1-propyl-5-(trifluoromethyl)triazole.
What is the SMILES notation for 4-fluoro-1-propyl-5-(trifluoromethyl)triazole?
The canonical SMILES for 4-fluoro-1-propyl-5-(trifluoromethyl)triazole is CCCn1nnc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-1-propyl-5-(trifluoromethyl)triazole?
The InChIKey is JFMMBJITTUGKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N3/c1-2-3-13-4(6(8,9)10)5(7)11-12-13/h2-3H2,1H3.
What are the key properties of 4-fluoro-1-propyl-5-(trifluoromethyl)triazole?
4-fluoro-1-propyl-5-(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 4-fluoro-1-propyl-5-(trifluoromethyl)triazole is sourced from PubChem (CID 69382881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).