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

C6H7ClF3N3 — CID 69384889

IUPAC5-chloro-1-propyl-4-(trifluoromethyl)triazole
SMILESCCCn1nnc(C(F)(F)F)c1Cl
InChIInChI=1S/C6H7ClF3N3/c1-2-3-13-5(7)4(11-12-13)6(8,9)10/h2-3H2,1H3
InChIKeyIXMJAJRZQLUPEE-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.36
Rot. Bonds2

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

5-chloro-1-propyl-4-(trifluoromethyl)triazole (PubChem CID 69384889) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is 5-chloro-1-propyl-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name5-chloro-1-propyl-4-(trifluoromethyl)triazole
PubChem CID69384889
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name5-chloro-1-propyl-4-(trifluoromethyl)triazole
SMILESCCCn1nnc(C(F)(F)F)c1Cl
InChIInChI=1S/C6H7ClF3N3/c1-2-3-13-5(7)4(11-12-13)6(8,9)10/h2-3H2,1H3
InChIKeyIXMJAJRZQLUPEE-UHFFFAOYSA-N
XLogP2.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1,2,2,2-pentafluoroethyl)-1-propyl-5-(trifluoromethyl)triazole
CID 87804250
4-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)-1-propyltriazole
CID 87804685
4-tert-butyl-5-chloro-1-ethyltriazole
CID 69383937
5-propan-2-yl-1-propyl-4-(trichloromethyl)triazole
CID 69382654
4-(2,2-dimethylpropyl)-1-propyl-5-(trifluoromethyl)triazole
CID 69383236
5-(1,1,2,2,2-pentachloroethyl)-1-propyl-4-(trichloromethyl)triazole
CID 87804301
1-ethyl-4-(trichloromethyl)-5-(trifluoromethyl)triazole
CID 87803867
1-propyl-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 82205083
5-chloro-4-fluoro-1-hexyltriazole
CID 69386198
4,5-dibromo-1-propyltriazole
CID 69386726
1-propyl-6-(trifluoromethyl)benzotriazole
CID 134298697
5-butyl-4-chloro-1-propyltriazole
CID 69384361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propyl-4-(trifluoromethyl)triazole?
The IUPAC name of 5-chloro-1-propyl-4-(trifluoromethyl)triazole (CID 69384889) is 5-chloro-1-propyl-4-(trifluoromethyl)triazole.
What is the SMILES notation for 5-chloro-1-propyl-4-(trifluoromethyl)triazole?
The canonical SMILES for 5-chloro-1-propyl-4-(trifluoromethyl)triazole is CCCn1nnc(C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-1-propyl-4-(trifluoromethyl)triazole?
The InChIKey is IXMJAJRZQLUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3/c1-2-3-13-5(7)4(11-12-13)6(8,9)10/h2-3H2,1H3.
What are the key properties of 5-chloro-1-propyl-4-(trifluoromethyl)triazole?
5-chloro-1-propyl-4-(trifluoromethyl)triazole has a molecular weight of 213.59 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propyl-4-(trifluoromethyl)triazole is sourced from PubChem (CID 69384889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).