4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine

C12H6F5IN2 — CID 57468610

IUPAC4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc(I)n1
InChIInChI=1S/C12H6F5IN2/c13-10(14)9-5-8(19-11(18)20-9)6-1-3-7(4-2-6)12(15,16)17/h1-5,10H
InChIKeyLZVRKBCTOAOPKV-UHFFFAOYSA-N
MW400.09 g/mol
LogP4.70
Rot. Bonds2

About 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine

4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 57468610) has the molecular formula C12H6F5IN2 and a molecular weight of 400.09 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID57468610
Molecular FormulaC12H6F5IN2
Molecular Weight400.09 g/mol
Exact Mass399.95
IUPAC Name4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc(I)n1
InChIInChI=1S/C12H6F5IN2/c13-10(14)9-5-8(19-11(18)20-9)6-1-3-7(4-2-6)12(15,16)17/h1-5,10H
InChIKeyLZVRKBCTOAOPKV-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.09
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 57468610) is 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc(I)n1.
What is the InChIKey of 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is LZVRKBCTOAOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F5IN2/c13-10(14)9-5-8(19-11(18)20-9)6-1-3-7(4-2-6)12(15,16)17/h1-5,10H.
What are the key properties of 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine?
4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 400.09 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 57468610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).