2-(3-fluoropropoxy)-1,3,5-triazine

C6H8FN3O — CID 118039305

IUPAC2-(3-fluoropropoxy)-1,3,5-triazine
SMILESFCCCOc1ncncn1
InChIInChI=1S/C6H8FN3O/c7-2-1-3-11-6-9-4-8-5-10-6/h4-5H,1-3H2
InChIKeyADDQDYBDSGRXTC-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.61
Rot. Bonds4

About 2-(3-fluoropropoxy)-1,3,5-triazine

2-(3-fluoropropoxy)-1,3,5-triazine (PubChem CID 118039305) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-fluoropropoxy)-1,3,5-triazine
PubChem CID118039305
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name2-(3-fluoropropoxy)-1,3,5-triazine
SMILESFCCCOc1ncncn1
InChIInChI=1S/C6H8FN3O/c7-2-1-3-11-6-9-4-8-5-10-6/h4-5H,1-3H2
InChIKeyADDQDYBDSGRXTC-UHFFFAOYSA-N
XLogP0.61
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(3-fluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2-(3-fluoropropoxy)-1,3,5-triazine (CID 118039305) is 2-(3-fluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(3-fluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2-(3-fluoropropoxy)-1,3,5-triazine is FCCCOc1ncncn1.
What is the InChIKey of 2-(3-fluoropropoxy)-1,3,5-triazine?
The InChIKey is ADDQDYBDSGRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c7-2-1-3-11-6-9-4-8-5-10-6/h4-5H,1-3H2.
What are the key properties of 2-(3-fluoropropoxy)-1,3,5-triazine?
2-(3-fluoropropoxy)-1,3,5-triazine has a molecular weight of 157.15 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 118039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).