cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H9F3N2O — CID 174641979

IUPACcyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC1CC1.O=c1cc(C(F)(F)F)nc[nH]1
InChIInChI=1S/C5H3F3N2O.C3H6/c6-5(7,8)3-1-4(11)10-2-9-3;1-2-3-1/h1-2H,(H,9,10,11);1-3H2
InChIKeyHGOQMPHQQBQOLE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.96
Rot. Bonds

About cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one

cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 174641979) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Namecyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID174641979
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Namecyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESC1CC1.O=c1cc(C(F)(F)F)nc[nH]1
InChIInChI=1S/C5H3F3N2O.C3H6/c6-5(7,8)3-1-4(11)10-2-9-3;1-2-3-1/h1-2H,(H,9,10,11);1-3H2
InChIKeyHGOQMPHQQBQOLE-UHFFFAOYSA-N
XLogP1.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 174641979) is cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one is C1CC1.O=c1cc(C(F)(F)F)nc[nH]1.
What is the InChIKey of cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is HGOQMPHQQBQOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O.C3H6/c6-5(7,8)3-1-4(11)10-2-9-3;1-2-3-1/h1-2H,(H,9,10,11);1-3H2.
What are the key properties of cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one?
cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 206.17 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 174641979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).