[1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol

C9H10ClF2N3O — CID 121204086

IUPAC[1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1c1cc(Cl)ncn1
InChIInChI=1S/C9H10ClF2N3O/c10-7-1-8(14-5-13-7)15-4-9(11,12)2-6(15)3-16/h1,5-6,16H,2-4H2
InChIKeyMFDKPCRBUDWWSS-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.34
Rot. Bonds2

About [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol

[1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 121204086) has the molecular formula C9H10ClF2N3O and a molecular weight of 249.65 g/mol. Its IUPAC name is [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID121204086
Molecular FormulaC9H10ClF2N3O
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name[1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESOCC1CC(F)(F)CN1c1cc(Cl)ncn1
InChIInChI=1S/C9H10ClF2N3O/c10-7-1-8(14-5-13-7)15-4-9(11,12)2-6(15)3-16/h1,5-6,16H,2-4H2
InChIKeyMFDKPCRBUDWWSS-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol (CID 121204086) is [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol is OCC1CC(F)(F)CN1c1cc(Cl)ncn1.
What is the InChIKey of [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is MFDKPCRBUDWWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O/c10-7-1-8(14-5-13-7)15-4-9(11,12)2-6(15)3-16/h1,5-6,16H,2-4H2.
What are the key properties of [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol?
[1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 249.65 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyrimidin-4-yl)-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 121204086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).