4-(1,1-difluoroethyl)-2-methylpyrimidine

C7H8F2N2 — CID 58071592

IUPAC4-(1,1-difluoroethyl)-2-methylpyrimidine
SMILESCc1nccc(C(C)(F)F)n1
InChIInChI=1S/C7H8F2N2/c1-5-10-4-3-6(11-5)7(2,8)9/h3-4H,1-2H3
InChIKeyPFLROIYOEQIYIN-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.90
Rot. Bonds1

About 4-(1,1-difluoroethyl)-2-methylpyrimidine

4-(1,1-difluoroethyl)-2-methylpyrimidine (PubChem CID 58071592) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2-methylpyrimidine
PubChem CID58071592
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name4-(1,1-difluoroethyl)-2-methylpyrimidine
SMILESCc1nccc(C(C)(F)F)n1
InChIInChI=1S/C7H8F2N2/c1-5-10-4-3-6(11-5)7(2,8)9/h3-4H,1-2H3
InChIKeyPFLROIYOEQIYIN-UHFFFAOYSA-N
XLogP1.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2-methylpyrimidine?
The IUPAC name of 4-(1,1-difluoroethyl)-2-methylpyrimidine (CID 58071592) is 4-(1,1-difluoroethyl)-2-methylpyrimidine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2-methylpyrimidine?
The canonical SMILES for 4-(1,1-difluoroethyl)-2-methylpyrimidine is Cc1nccc(C(C)(F)F)n1.
What is the InChIKey of 4-(1,1-difluoroethyl)-2-methylpyrimidine?
The InChIKey is PFLROIYOEQIYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-5-10-4-3-6(11-5)7(2,8)9/h3-4H,1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-2-methylpyrimidine?
4-(1,1-difluoroethyl)-2-methylpyrimidine has a molecular weight of 158.15 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2-methylpyrimidine is sourced from PubChem (CID 58071592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).