2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

C7H5ClF4N2O — CID 59304971

IUPAC2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1nc(Cl)ncc1F)C(F)(F)F
InChIInChI=1S/C7H5ClF4N2O/c1-3(7(10,11)12)15-5-4(9)2-13-6(8)14-5/h2-3H,1H3
InChIKeyGOWWKDOLBZIQNI-UHFFFAOYSA-N
MW244.58 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine

2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (PubChem CID 59304971) has the molecular formula C7H5ClF4N2O and a molecular weight of 244.58 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
PubChem CID59304971
Molecular FormulaC7H5ClF4N2O
Molecular Weight244.58 g/mol
Exact Mass244.00
IUPAC Name2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
SMILESCC(Oc1nc(Cl)ncc1F)C(F)(F)F
InChIInChI=1S/C7H5ClF4N2O/c1-3(7(10,11)12)15-5-4(9)2-13-6(8)14-5/h2-3H,1H3
InChIKeyGOWWKDOLBZIQNI-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.58
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine (CID 59304971) is 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is CC(Oc1nc(Cl)ncc1F)C(F)(F)F.
What is the InChIKey of 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
The InChIKey is GOWWKDOLBZIQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4N2O/c1-3(7(10,11)12)15-5-4(9)2-13-6(8)14-5/h2-3H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine?
2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine has a molecular weight of 244.58 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(1,1,1-trifluoropropan-2-yloxy)pyrimidine is sourced from PubChem (CID 59304971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).