bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine

C11H7F3N2O — CID 174479107

IUPACbicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccncn1.Oc1cc2ccc1-2
InChIInChI=1S/C6H4O.C5H3F3N2/c7-6-3-4-1-2-5(4)6;6-5(7,8)4-1-2-9-3-10-4/h1-3,7H;1-3H
InChIKeyJZJYCGFUZGWFDN-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.87
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine

bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine (PubChem CID 174479107) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine
PubChem CID174479107
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccncn1.Oc1cc2ccc1-2
InChIInChI=1S/C6H4O.C5H3F3N2/c7-6-3-4-1-2-5(4)6;6-5(7,8)4-1-2-9-3-10-4/h1-3,7H;1-3H
InChIKeyJZJYCGFUZGWFDN-UHFFFAOYSA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine (CID 174479107) is bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccncn1.Oc1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine?
The InChIKey is JZJYCGFUZGWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O.C5H3F3N2/c7-6-3-4-1-2-5(4)6;6-5(7,8)4-1-2-9-3-10-4/h1-3,7H;1-3H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine?
bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine has a molecular weight of 240.18 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-trien-2-ol;4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 174479107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).