2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine

C7H5ClF4N2O — CID 62338130

IUPAC2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine
SMILESFC(F)C(F)(F)COc1ccnc(Cl)n1
InChIInChI=1S/C7H5ClF4N2O/c8-6-13-2-1-4(14-6)15-3-7(11,12)5(9)10/h1-2,5H,3H2
InChIKeyRDUUFSJTFOFTHV-UHFFFAOYSA-N
MW244.58 g/mol
LogP2.41
Rot. Bonds4

About 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine

2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine (PubChem CID 62338130) has the molecular formula C7H5ClF4N2O and a molecular weight of 244.58 g/mol. Its IUPAC name is 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine
PubChem CID62338130
Molecular FormulaC7H5ClF4N2O
Molecular Weight244.58 g/mol
Exact Mass244.00
IUPAC Name2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine
SMILESFC(F)C(F)(F)COc1ccnc(Cl)n1
InChIInChI=1S/C7H5ClF4N2O/c8-6-13-2-1-4(14-6)15-3-7(11,12)5(9)10/h1-2,5H,3H2
InChIKeyRDUUFSJTFOFTHV-UHFFFAOYSA-N
XLogP2.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.58
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine (CID 62338130) is 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine is FC(F)C(F)(F)COc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
The InChIKey is RDUUFSJTFOFTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4N2O/c8-6-13-2-1-4(14-6)15-3-7(11,12)5(9)10/h1-2,5H,3H2.
What are the key properties of 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine?
2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine has a molecular weight of 244.58 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2,3,3-tetrafluoropropoxy)pyrimidine is sourced from PubChem (CID 62338130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).