2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine

C7H5Cl2F2N3O — CID 121409428

IUPAC2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine
SMILESFC1(F)C[C@@H]1COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H5Cl2F2N3O/c8-4-12-5(9)14-6(13-4)15-2-3-1-7(3,10)11/h3H,1-2H2/t3-/m1/s1
InChIKeyUYHSFSUDVUVTGY-GSVOUGTGSA-N
MW256.04 g/mol
LogP2.21
Rot. Bonds3

About 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine

2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine (PubChem CID 121409428) has the molecular formula C7H5Cl2F2N3O and a molecular weight of 256.04 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine
PubChem CID121409428
Molecular FormulaC7H5Cl2F2N3O
Molecular Weight256.04 g/mol
Exact Mass254.98
IUPAC Name2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine
SMILESFC1(F)C[C@@H]1COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H5Cl2F2N3O/c8-4-12-5(9)14-6(13-4)15-2-3-1-7(3,10)11/h3H,1-2H2/t3-/m1/s1
InChIKeyUYHSFSUDVUVTGY-GSVOUGTGSA-N
XLogP2.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 58039636
2,4-Dichloro-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 62859410
2,4-Dichloro-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine
CID 121409420
2,4-Dichloro-6-(2,2-difluoroethoxy)-1,3,5-triazine
CID 82004970
2,4-Dichloro-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
CID 82790207
2,4-Dichloro-6-(3,3,3-trifluoropropoxy)-1,3,5-triazine
CID 82956042
2,4-dichloro-6-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine
CID 125480083
2,4-Dichloro-6-(cyclopropylmethoxy)-1,3,5-triazine
CID 62859408
2,4-Dichloro-6-(1,1-dideuterio-2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 118501382
2,4-dichloro-6-[(1R)-2-methylcyclopropyl]oxy-1,3,5-triazine
CID 142054731

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine (CID 121409428) is 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine is FC1(F)C[C@@H]1COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine?
The InChIKey is UYHSFSUDVUVTGY-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H5Cl2F2N3O/c8-4-12-5(9)14-6(13-4)15-2-3-1-7(3,10)11/h3H,1-2H2/t3-/m1/s1.
What are the key properties of 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine?
2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine has a molecular weight of 256.04 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(1R)-2,2-difluorocyclopropyl]methoxy]-1,3,5-triazine is sourced from PubChem (CID 121409428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).