4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C8H6ClF4IN2O — CID 103473589

IUPAC4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESFC(F)C(F)(F)COCc1ncc(I)c(Cl)n1
InChIInChI=1S/C8H6ClF4IN2O/c9-6-4(14)1-15-5(16-6)2-17-3-8(12,13)7(10)11/h1,7H,2-3H2
InChIKeyQQIAYHAJJSHRMY-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.15
Rot. Bonds5

About 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473589) has the molecular formula C8H6ClF4IN2O and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473589
Molecular FormulaC8H6ClF4IN2O
Molecular Weight384.50 g/mol
Exact Mass383.91
IUPAC Name4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESFC(F)C(F)(F)COCc1ncc(I)c(Cl)n1
InChIInChI=1S/C8H6ClF4IN2O/c9-6-4(14)1-15-5(16-6)2-17-3-8(12,13)7(10)11/h1,7H,2-3H2
InChIKeyQQIAYHAJJSHRMY-UHFFFAOYSA-N
XLogP3.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-iodo-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473568
4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473554
4-chloro-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydroquinazoline
CID 103473539
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
4-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylic acid
CID 103476099
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 103476626
5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476257
4-chloro-6-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473601
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476333
5-iodo-6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473589) is 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is FC(F)C(F)(F)COCc1ncc(I)c(Cl)n1.
What is the InChIKey of 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is QQIAYHAJJSHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF4IN2O/c9-6-4(14)1-15-5(16-6)2-17-3-8(12,13)7(10)11/h1,7H,2-3H2.
What are the key properties of 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 384.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).