4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole

C8H14FN3O — CID 142603446

IUPAC4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole
SMILESCOCC(C)n1cc(CCF)nn1
InChIInChI=1S/C8H14FN3O/c1-7(6-13-2)12-5-8(3-4-9)10-11-12/h5,7H,3-4,6H2,1-2H3
InChIKeyBJRGUZULCHHVIF-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.00
Rot. Bonds5

About 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole

4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole (PubChem CID 142603446) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole
PubChem CID142603446
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole
SMILESCOCC(C)n1cc(CCF)nn1
InChIInChI=1S/C8H14FN3O/c1-7(6-13-2)12-5-8(3-4-9)10-11-12/h5,7H,3-4,6H2,1-2H3
InChIKeyBJRGUZULCHHVIF-UHFFFAOYSA-N
XLogP1.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
1-(3-Fluoropropyl)-4-propan-2-yltriazole
CID 58384188
4-(2-Fluoroethyl)-1-propan-2-yltriazole
CID 58384191
4-(2-Fluoroethyl)-1-methyltriazole
CID 68256685
4-Ethyl-1-(fluoromethyl)triazole
CID 89457557
2-(4-tert-butyl-1H-1,2,3-triazol-1-yl)-2,2-difluoroethan-1-ol
CID 124179959
4-Tert-butyl-1-[(3-fluorooxetan-3-yl)methyl]triazole
CID 124179962
1-[(2R)-1-fluoropropan-2-yl]-4-propan-2-yltriazole
CID 124180080
1-(1-Fluorobutan-2-yl)-4-propan-2-yltriazole
CID 124180081
4-Ethyl-1-(3-fluoropropyl)triazole
CID 124189060
4-Ethyl-1-[(3-fluorooxetan-3-yl)methyl]triazole
CID 124189065
4-Ethyl-1-(2,2,2-trifluoroethyl)triazole
CID 124189067

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole?
The IUPAC name of 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole (CID 142603446) is 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole.
What is the SMILES notation for 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole?
The canonical SMILES for 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole is COCC(C)n1cc(CCF)nn1.
What is the InChIKey of 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole?
The InChIKey is BJRGUZULCHHVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-7(6-13-2)12-5-8(3-4-9)10-11-12/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole?
4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole has a molecular weight of 187.22 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1-(1-methoxypropan-2-yl)triazole is sourced from PubChem (CID 142603446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).