3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol

C8H12F3N3O — CID 114686343

IUPAC3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol
SMILESCCCn1nncc1C(O)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-2-3-14-6(5-12-13-14)7(15)4-8(9,10)11/h5,7,15H,2-4H2,1H3
InChIKeyDMTGIJKKUNVKOM-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.67
Rot. Bonds4

About 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol

3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol (PubChem CID 114686343) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol
PubChem CID114686343
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol
SMILESCCCn1nncc1C(O)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-2-3-14-6(5-12-13-14)7(15)4-8(9,10)11/h5,7,15H,2-4H2,1H3
InChIKeyDMTGIJKKUNVKOM-UHFFFAOYSA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol (CID 114686343) is 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol is CCCn1nncc1C(O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol?
The InChIKey is DMTGIJKKUNVKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-2-3-14-6(5-12-13-14)7(15)4-8(9,10)11/h5,7,15H,2-4H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol?
3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol has a molecular weight of 223.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-propyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 114686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).