4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine

C7H5F5N2O — CID 123454502

IUPAC4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine
SMILESFC(F)c1ccnc(COC(F)(F)F)n1
InChIInChI=1S/C7H5F5N2O/c8-6(9)4-1-2-13-5(14-4)3-15-7(10,11)12/h1-2,6H,3H2
InChIKeyIUIDVUKUNSSDAF-UHFFFAOYSA-N
MW228.12 g/mol
LogP2.45
Rot. Bonds3

About 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine

4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine (PubChem CID 123454502) has the molecular formula C7H5F5N2O and a molecular weight of 228.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine
PubChem CID123454502
Molecular FormulaC7H5F5N2O
Molecular Weight228.12 g/mol
Exact Mass228.03
IUPAC Name4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine
SMILESFC(F)c1ccnc(COC(F)(F)F)n1
InChIInChI=1S/C7H5F5N2O/c8-6(9)4-1-2-13-5(14-4)3-15-7(10,11)12/h1-2,6H,3H2
InChIKeyIUIDVUKUNSSDAF-UHFFFAOYSA-N
XLogP2.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-(2-methoxyethyl)pyrimidine
CID 123949167
[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
CID 119031436
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
CID 84661261
2,4-bis(difluoromethyl)pyrimidine
CID 68586221
N-[[4-(difluoromethyl)pyrimidin-2-yl]methyl]prop-2-enamide
CID 146108153
2-cyclopropyl-4-(trifluoromethoxymethyl)pyrimidine
CID 123948950
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 103476626
2-[[(3S)-4-(2,2-difluoroethyl)-3-methylpiperazin-1-yl]methyl]-4-(difluoromethyl)pyrimidine
CID 167795597
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 90379560
2-(difluoromethoxymethyl)pyrimidine
CID 123724255
2,6-bis(difluoromethyl)pyridine
CID 68586040

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine (CID 123454502) is 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine is FC(F)c1ccnc(COC(F)(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine?
The InChIKey is IUIDVUKUNSSDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F5N2O/c8-6(9)4-1-2-13-5(14-4)3-15-7(10,11)12/h1-2,6H,3H2.
What are the key properties of 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine?
4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine has a molecular weight of 228.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine is sourced from PubChem (CID 123454502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).