6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde

C10H10F4N2O2 — CID 103476540

IUPAC6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H10F4N2O2/c1-6-2-7(3-17)16-8(15-6)4-18-5-10(13,14)9(11)12/h2-3,9H,4-5H2,1H3
InChIKeyWQUYUAJSQBMXPN-UHFFFAOYSA-N
MW266.19 g/mol
LogP2.01
Rot. Bonds6

About 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde

6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde (PubChem CID 103476540) has the molecular formula C10H10F4N2O2 and a molecular weight of 266.19 g/mol. Its IUPAC name is 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde
PubChem CID103476540
Molecular FormulaC10H10F4N2O2
Molecular Weight266.19 g/mol
Exact Mass266.07
IUPAC Name6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H10F4N2O2/c1-6-2-7(3-17)16-8(15-6)4-18-5-10(13,14)9(11)12/h2-3,9H,4-5H2,1H3
InChIKeyWQUYUAJSQBMXPN-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde (CID 103476540) is 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(COCC(F)(F)C(F)F)n1.
What is the InChIKey of 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde?
The InChIKey is WQUYUAJSQBMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2/c1-6-2-7(3-17)16-8(15-6)4-18-5-10(13,14)9(11)12/h2-3,9H,4-5H2,1H3.
What are the key properties of 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde?
6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde has a molecular weight of 266.19 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 103476540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).