1-(3-fluoropropyl)-4-propan-2-yltriazole

C8H14FN3 — CID 58384188

IUPAC1-(3-fluoropropyl)-4-propan-2-yltriazole
SMILESCC(C)c1cn(CCCF)nn1
InChIInChI=1S/C8H14FN3/c1-7(2)8-6-12(11-10-8)5-3-4-9/h6-7H,3-5H2,1-2H3
InChIKeyFVOIUQGXBDUCKG-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.76
Rot. Bonds4

About 1-(3-fluoropropyl)-4-propan-2-yltriazole

1-(3-fluoropropyl)-4-propan-2-yltriazole (PubChem CID 58384188) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-propan-2-yltriazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-propan-2-yltriazole
PubChem CID58384188
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name1-(3-fluoropropyl)-4-propan-2-yltriazole
SMILESCC(C)c1cn(CCCF)nn1
InChIInChI=1S/C8H14FN3/c1-7(2)8-6-12(11-10-8)5-3-4-9/h6-7H,3-5H2,1-2H3
InChIKeyFVOIUQGXBDUCKG-UHFFFAOYSA-N
XLogP1.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium
CID 151830008
N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
CID 155545712
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Butyl-1-(1,1,2,3,3,3-hexafluoropropyl)triazole
CID 134909816
1,4-Di(n-butyl)-1,2,3-triazole
CID 18994978
1,4-Diethyltriazole
CID 19779068
1,4-Di(propan-2-yl)triazole
CID 21054920
3,5-Dipentyl triazole
CID 23269501
4-Ethyl-1-methyltriazole
CID 59050128
1-Butyl-4-propyl-triazole
CID 68680561
1-Ethyl-4-pentyltriazole
CID 68686204
4-tert-Butyl-1-heptyl-1H-1,2,3-triazole
CID 68963729

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-propan-2-yltriazole?
The IUPAC name of 1-(3-fluoropropyl)-4-propan-2-yltriazole (CID 58384188) is 1-(3-fluoropropyl)-4-propan-2-yltriazole.
What is the SMILES notation for 1-(3-fluoropropyl)-4-propan-2-yltriazole?
The canonical SMILES for 1-(3-fluoropropyl)-4-propan-2-yltriazole is CC(C)c1cn(CCCF)nn1.
What is the InChIKey of 1-(3-fluoropropyl)-4-propan-2-yltriazole?
The InChIKey is FVOIUQGXBDUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-7(2)8-6-12(11-10-8)5-3-4-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-4-propan-2-yltriazole?
1-(3-fluoropropyl)-4-propan-2-yltriazole has a molecular weight of 171.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-propan-2-yltriazole is sourced from PubChem (CID 58384188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).