1-[(3-fluorophenyl)methyl]-2H-pyrimidine

C11H11FN2 — CID 57117478

IUPAC1-[(3-fluorophenyl)methyl]-2H-pyrimidine
SMILESFc1cccc(CN2C=CC=NC2)c1
InChIInChI=1S/C11H11FN2/c12-11-4-1-3-10(7-11)8-14-6-2-5-13-9-14/h1-7H,8-9H2
InChIKeyFOFMHWAXWHLLQI-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.18
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2H-pyrimidine

1-[(3-fluorophenyl)methyl]-2H-pyrimidine (PubChem CID 57117478) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2H-pyrimidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2H-pyrimidine
PubChem CID57117478
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-[(3-fluorophenyl)methyl]-2H-pyrimidine
SMILESFc1cccc(CN2C=CC=NC2)c1
InChIInChI=1S/C11H11FN2/c12-11-4-1-3-10(7-11)8-14-6-2-5-13-9-14/h1-7H,8-9H2
InChIKeyFOFMHWAXWHLLQI-UHFFFAOYSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2H-pyrimidine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2H-pyrimidine (CID 57117478) is 1-[(3-fluorophenyl)methyl]-2H-pyrimidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2H-pyrimidine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2H-pyrimidine is Fc1cccc(CN2C=CC=NC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2H-pyrimidine?
The InChIKey is FOFMHWAXWHLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-11-4-1-3-10(7-11)8-14-6-2-5-13-9-14/h1-7H,8-9H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2H-pyrimidine?
1-[(3-fluorophenyl)methyl]-2H-pyrimidine has a molecular weight of 190.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2H-pyrimidine is sourced from PubChem (CID 57117478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).