4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride

C8H2ClF7N2O — CID 86660075

IUPAC4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cnc(C(F)(F)C(F)(F)F)nc1C(F)F
InChIInChI=1S/C8H2ClF7N2O/c9-4(19)2-1-17-6(18-3(2)5(10)11)7(12,13)8(14,15)16/h1,5H
InChIKeyBGFCXQGFPPYPGZ-UHFFFAOYSA-N
MW310.56 g/mol
LogP3.45
Rot. Bonds3

About 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride

4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride (PubChem CID 86660075) has the molecular formula C8H2ClF7N2O and a molecular weight of 310.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
PubChem CID86660075
Molecular FormulaC8H2ClF7N2O
Molecular Weight310.56 g/mol
Exact Mass309.97
IUPAC Name4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cnc(C(F)(F)C(F)(F)F)nc1C(F)F
InChIInChI=1S/C8H2ClF7N2O/c9-4(19)2-1-17-6(18-3(2)5(10)11)7(12,13)8(14,15)16/h1,5H
InChIKeyBGFCXQGFPPYPGZ-UHFFFAOYSA-N
XLogP3.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134678964
4-ethyl-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
CID 22831545
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 10846987
3-(chloromethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134663465
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105551
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride (CID 86660075) is 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride is O=C(Cl)c1cnc(C(F)(F)C(F)(F)F)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
The InChIKey is BGFCXQGFPPYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF7N2O/c9-4(19)2-1-17-6(18-3(2)5(10)11)7(12,13)8(14,15)16/h1,5H.
What are the key properties of 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride has a molecular weight of 310.56 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride is sourced from PubChem (CID 86660075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).