[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol

C12H8Cl2F2N2O — CID 19074088

IUPAC[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl
InChIInChI=1S/C12H8Cl2F2N2O/c13-8-3-1-7(2-4-8)10(19)9-5-17-6-18-11(9)12(14,15)16/h1-6,10,19H
InChIKeyLQOPZDNOKXDJEA-UHFFFAOYSA-N
MW305.11 g/mol
LogP3.50
Rot. Bonds3

About [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol

[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol (PubChem CID 19074088) has the molecular formula C12H8Cl2F2N2O and a molecular weight of 305.11 g/mol. Its IUPAC name is [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol
PubChem CID19074088
Molecular FormulaC12H8Cl2F2N2O
Molecular Weight305.11 g/mol
Exact Mass304.00
IUPAC Name[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl
InChIInChI=1S/C12H8Cl2F2N2O/c13-8-3-1-7(2-4-8)10(19)9-5-17-6-18-11(9)12(14,15)16/h1-6,10,19H
InChIKeyLQOPZDNOKXDJEA-UHFFFAOYSA-N
XLogP3.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol?
The IUPAC name of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol (CID 19074088) is [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol?
The canonical SMILES for [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)c1cncnc1C(F)(F)Cl.
What is the InChIKey of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol?
The InChIKey is LQOPZDNOKXDJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O/c13-8-3-1-7(2-4-8)10(19)9-5-17-6-18-11(9)12(14,15)16/h1-6,10,19H.
What are the key properties of [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol?
[4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol has a molecular weight of 305.11 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[chloro(difluoro)methyl]pyrimidin-5-yl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 19074088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).