4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine

C9H11ClF2N2O2 — CID 170577357

IUPAC4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1nc(Cl)cc(C(C)(F)F)n1
InChIInChI=1S/C9H11ClF2N2O2/c1-9(11,12)6-5-7(10)14-8(13-6)16-4-3-15-2/h5H,3-4H2,1-2H3
InChIKeyYNSFBBRVJHXCMF-UHFFFAOYSA-N
MW252.65 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine

4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine (PubChem CID 170577357) has the molecular formula C9H11ClF2N2O2 and a molecular weight of 252.65 g/mol. Its IUPAC name is 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine
PubChem CID170577357
Molecular FormulaC9H11ClF2N2O2
Molecular Weight252.65 g/mol
Exact Mass252.05
IUPAC Name4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1nc(Cl)cc(C(C)(F)F)n1
InChIInChI=1S/C9H11ClF2N2O2/c1-9(11,12)6-5-7(10)14-8(13-6)16-4-3-15-2/h5H,3-4H2,1-2H3
InChIKeyYNSFBBRVJHXCMF-UHFFFAOYSA-N
XLogP2.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine (CID 170577357) is 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine is COCCOc1nc(Cl)cc(C(C)(F)F)n1.
What is the InChIKey of 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine?
The InChIKey is YNSFBBRVJHXCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O2/c1-9(11,12)6-5-7(10)14-8(13-6)16-4-3-15-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine?
4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine has a molecular weight of 252.65 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1-difluoroethyl)-2-(2-methoxyethoxy)pyrimidine is sourced from PubChem (CID 170577357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).