3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine

C8H14F2N4O — CID 103148844

IUPAC3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine
SMILESCn1nncc1C(N)CCOCC(F)F
InChIInChI=1S/C8H14F2N4O/c1-14-7(4-12-13-14)6(11)2-3-15-5-8(9)10/h4,6,8H,2-3,5,11H2,1H3
InChIKeyWGLQZGAZKUFEKT-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.49
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine (PubChem CID 103148844) has the molecular formula C8H14F2N4O and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine
PubChem CID103148844
Molecular FormulaC8H14F2N4O
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine
SMILESCn1nncc1C(N)CCOCC(F)F
InChIInChI=1S/C8H14F2N4O/c1-14-7(4-12-13-14)6(11)2-3-15-5-8(9)10/h4,6,8H,2-3,5,11H2,1H3
InChIKeyWGLQZGAZKUFEKT-UHFFFAOYSA-N
XLogP0.49
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine (CID 103148844) is 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine is Cn1nncc1C(N)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine?
The InChIKey is WGLQZGAZKUFEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4O/c1-14-7(4-12-13-14)6(11)2-3-15-5-8(9)10/h4,6,8H,2-3,5,11H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine has a molecular weight of 220.22 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 103148844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).