2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine

C12H7F5N2O — CID 141385029

IUPAC2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine
SMILESCOc1cnc(-c2cc(F)c(C(F)(F)F)c(F)c2)nc1
InChIInChI=1S/C12H7F5N2O/c1-20-7-4-18-11(19-5-7)6-2-8(13)10(9(14)3-6)12(15,16)17/h2-5H,1H3
InChIKeyVRLVXCIKTVCJAE-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.45
Rot. Bonds2

About 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine (PubChem CID 141385029) has the molecular formula C12H7F5N2O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine
PubChem CID141385029
Molecular FormulaC12H7F5N2O
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine
SMILESCOc1cnc(-c2cc(F)c(C(F)(F)F)c(F)c2)nc1
InChIInChI=1S/C12H7F5N2O/c1-20-7-4-18-11(19-5-7)6-2-8(13)10(9(14)3-6)12(15,16)17/h2-5H,1H3
InChIKeyVRLVXCIKTVCJAE-UHFFFAOYSA-N
XLogP3.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine (CID 141385029) is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine is COc1cnc(-c2cc(F)c(C(F)(F)F)c(F)c2)nc1.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine?
The InChIKey is VRLVXCIKTVCJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O/c1-20-7-4-18-11(19-5-7)6-2-8(13)10(9(14)3-6)12(15,16)17/h2-5H,1H3.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine?
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine has a molecular weight of 290.19 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine is sourced from PubChem (CID 141385029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).