2-cyclohexyl-4-fluoro-1,3,5-triazine

C9H12FN3 — CID 174355211

IUPAC2-cyclohexyl-4-fluoro-1,3,5-triazine
SMILESFc1ncnc(C2CCCCC2)n1
InChIInChI=1S/C9H12FN3/c10-9-12-6-11-8(13-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyBXIZVKLARXGDSH-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.06
Rot. Bonds1

About 2-cyclohexyl-4-fluoro-1,3,5-triazine

2-cyclohexyl-4-fluoro-1,3,5-triazine (PubChem CID 174355211) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-cyclohexyl-4-fluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexyl-4-fluoro-1,3,5-triazine
PubChem CID174355211
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-cyclohexyl-4-fluoro-1,3,5-triazine
SMILESFc1ncnc(C2CCCCC2)n1
InChIInChI=1S/C9H12FN3/c10-9-12-6-11-8(13-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyBXIZVKLARXGDSH-UHFFFAOYSA-N
XLogP2.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-fluoro-1,3,5-triazine?
The IUPAC name of 2-cyclohexyl-4-fluoro-1,3,5-triazine (CID 174355211) is 2-cyclohexyl-4-fluoro-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexyl-4-fluoro-1,3,5-triazine?
The canonical SMILES for 2-cyclohexyl-4-fluoro-1,3,5-triazine is Fc1ncnc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-4-fluoro-1,3,5-triazine?
The InChIKey is BXIZVKLARXGDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-9-12-6-11-8(13-9)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 2-cyclohexyl-4-fluoro-1,3,5-triazine?
2-cyclohexyl-4-fluoro-1,3,5-triazine has a molecular weight of 181.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-fluoro-1,3,5-triazine is sourced from PubChem (CID 174355211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).