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

C8H14FN3 — CID 58384192

IUPAC4-(3-fluoropropyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(CCCF)nn1
InChIInChI=1S/C8H14FN3/c1-7(2)12-6-8(10-11-12)4-3-5-9/h6-7H,3-5H2,1-2H3
InChIKeyMGLVEBWQUGEWOS-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.76
Rot. Bonds4

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

4-(3-fluoropropyl)-1-propan-2-yltriazole (PubChem CID 58384192) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-(3-fluoropropyl)-1-propan-2-yltriazole
PubChem CID58384192
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name4-(3-fluoropropyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(CCCF)nn1
InChIInChI=1S/C8H14FN3/c1-7(2)12-6-8(10-11-12)4-3-5-9/h6-7H,3-5H2,1-2H3
InChIKeyMGLVEBWQUGEWOS-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

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4-propyl-1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
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4-propyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
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1-(3-Methylbut-2-enyl)-4-octyltriazole
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1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-propyltriazole
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4-Ethyl-1-(2-fluoroethyl)triazole
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(2R)-1-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-amine dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-1-propan-2-yltriazole?
The IUPAC name of 4-(3-fluoropropyl)-1-propan-2-yltriazole (CID 58384192) is 4-(3-fluoropropyl)-1-propan-2-yltriazole.
What is the SMILES notation for 4-(3-fluoropropyl)-1-propan-2-yltriazole?
The canonical SMILES for 4-(3-fluoropropyl)-1-propan-2-yltriazole is CC(C)n1cc(CCCF)nn1.
What is the InChIKey of 4-(3-fluoropropyl)-1-propan-2-yltriazole?
The InChIKey is MGLVEBWQUGEWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-7(2)12-6-8(10-11-12)4-3-5-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(3-fluoropropyl)-1-propan-2-yltriazole?
4-(3-fluoropropyl)-1-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 4-(3-fluoropropyl)-1-propan-2-yltriazole is sourced from PubChem (CID 58384192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).