ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one

C10H17F3N2O — CID 169190463

IUPACethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESC=C1NC(=O)NC=C1C(F)(F)F.CC.CC
InChIInChI=1S/C6H5F3N2O.2C2H6/c1-3-4(6(7,8)9)2-10-5(12)11-3;2*1-2/h2H,1H2,(H2,10,11,12);2*1-2H3
InChIKeyCIXCLZNCEITSHI-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.31
Rot. Bonds

About ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one

ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 169190463) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID169190463
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Nameethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESC=C1NC(=O)NC=C1C(F)(F)F.CC.CC
InChIInChI=1S/C6H5F3N2O.2C2H6/c1-3-4(6(7,8)9)2-10-5(12)11-3;2*1-2/h2H,1H2,(H2,10,11,12);2*1-2H3
InChIKeyCIXCLZNCEITSHI-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 169190463) is ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one is C=C1NC(=O)NC=C1C(F)(F)F.CC.CC.
What is the InChIKey of ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is CIXCLZNCEITSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O.2C2H6/c1-3-4(6(7,8)9)2-10-5(12)11-3;2*1-2/h2H,1H2,(H2,10,11,12);2*1-2H3.
What are the key properties of ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one?
ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 238.25 g/mol, XLogP of 3.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylidene-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 169190463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).