4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine

C11H6ClF3N2 — CID 150273682

IUPAC4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine
SMILESFc1c(Cl)ccc(C(F)F)c1-c1ccncn1
InChIInChI=1S/C11H6ClF3N2/c12-7-2-1-6(11(14)15)9(10(7)13)8-3-4-16-5-17-8/h1-5,11H
InChIKeyGECFDLCDGQZUQP-UHFFFAOYSA-N
MW258.63 g/mol
LogP3.87
Rot. Bonds2

About 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine

4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine (PubChem CID 150273682) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine.

Molecular Properties

Compound Name4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine
PubChem CID150273682
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine
SMILESFc1c(Cl)ccc(C(F)F)c1-c1ccncn1
InChIInChI=1S/C11H6ClF3N2/c12-7-2-1-6(11(14)15)9(10(7)13)8-3-4-16-5-17-8/h1-5,11H
InChIKeyGECFDLCDGQZUQP-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine?
The IUPAC name of 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine (CID 150273682) is 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine.
What is the SMILES notation for 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine?
The canonical SMILES for 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine is Fc1c(Cl)ccc(C(F)F)c1-c1ccncn1.
What is the InChIKey of 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine?
The InChIKey is GECFDLCDGQZUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c12-7-2-1-6(11(14)15)9(10(7)13)8-3-4-16-5-17-8/h1-5,11H.
What are the key properties of 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine?
4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine has a molecular weight of 258.63 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]pyrimidine is sourced from PubChem (CID 150273682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).