[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol

C7H8F2N2O — CID 155943805

IUPAC[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol
SMILESCC(F)(F)c1ccnc(CO)n1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)5-2-3-10-6(4-12)11-5/h2-3,12H,4H2,1H3
InChIKeyXHMPHQNPAXHFBP-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.08
Rot. Bonds2

About [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol

[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol (PubChem CID 155943805) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol
PubChem CID155943805
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol
SMILESCC(F)(F)c1ccnc(CO)n1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)5-2-3-10-6(4-12)11-5/h2-3,12H,4H2,1H3
InChIKeyXHMPHQNPAXHFBP-UHFFFAOYSA-N
XLogP1.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol (CID 155943805) is [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol is CC(F)(F)c1ccnc(CO)n1.
What is the InChIKey of [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol?
The InChIKey is XHMPHQNPAXHFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-7(8,9)5-2-3-10-6(4-12)11-5/h2-3,12H,4H2,1H3.
What are the key properties of [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol?
[4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol has a molecular weight of 174.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoroethyl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 155943805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).