5-(1-fluoroethyl)-1-(2-methylpropyl)triazole

C8H14FN3 — CID 170396244

IUPAC5-(1-fluoroethyl)-1-(2-methylpropyl)triazole
SMILESCC(C)Cn1nncc1C(C)F
InChIInChI=1S/C8H14FN3/c1-6(2)5-12-8(7(3)9)4-10-11-12/h4,6-7H,5H2,1-3H3
InChIKeyIZPGKVFUAUOYOH-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.96
Rot. Bonds3

About 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole

5-(1-fluoroethyl)-1-(2-methylpropyl)triazole (PubChem CID 170396244) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-1-(2-methylpropyl)triazole
PubChem CID170396244
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name5-(1-fluoroethyl)-1-(2-methylpropyl)triazole
SMILESCC(C)Cn1nncc1C(C)F
InChIInChI=1S/C8H14FN3/c1-6(2)5-12-8(7(3)9)4-10-11-12/h4,6-7H,5H2,1-3H3
InChIKeyIZPGKVFUAUOYOH-UHFFFAOYSA-N
XLogP1.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
1,4-Diethyltriazole
CID 19779068
1,4-Di(propan-2-yl)triazole
CID 21054920
4-Ethyl-1-methyltriazole
CID 59050128
4-Tert-butyl-1-prop-2-enyltriazole
CID 85961759
5-Butyl-1-methyl-1H-1,2,3-triazole
CID 102310327
5-[(E)-but-2-enyl]-1-(1,1-difluoroethyl)triazole
CID 57967221
1-(2-Fluoroethyl)-4-methyltriazole
CID 58251824
1-(2-Fluoroethyl)-4-propan-2-yltriazole
CID 58384186
1-(3-Fluoropropyl)-4-propan-2-yltriazole
CID 58384188
1-(4-Fluorobutyl)-4-propan-2-yltriazole
CID 58384189
1-(Fluoromethyl)-4-propan-2-yltriazole
CID 58384190

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole?
The IUPAC name of 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole (CID 170396244) is 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole.
What is the SMILES notation for 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole?
The canonical SMILES for 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole is CC(C)Cn1nncc1C(C)F.
What is the InChIKey of 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole?
The InChIKey is IZPGKVFUAUOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-6(2)5-12-8(7(3)9)4-10-11-12/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole?
5-(1-fluoroethyl)-1-(2-methylpropyl)triazole has a molecular weight of 171.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-1-(2-methylpropyl)triazole is sourced from PubChem (CID 170396244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).