2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

C6HClF4N2O — CID 10846987

IUPAC2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cnc(F)nc1C(F)(F)F
InChIInChI=1S/C6HClF4N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H
InChIKeyKCFRNNWIOQQKGU-UHFFFAOYSA-N
MW228.53 g/mol
LogP2.01
Rot. Bonds1

About 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride (PubChem CID 10846987) has the molecular formula C6HClF4N2O and a molecular weight of 228.53 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
PubChem CID10846987
Molecular FormulaC6HClF4N2O
Molecular Weight228.53 g/mol
Exact Mass227.97
IUPAC Name2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cnc(F)nc1C(F)(F)F
InChIInChI=1S/C6HClF4N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H
InChIKeyKCFRNNWIOQQKGU-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.53
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 130849786
[5-acetyl-4-(trifluoromethyl)pyrimidin-2-yl]azanide;azanide;2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride;1-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]ethanone;bis(yttrium)
CID 159638802
5-cyano-2,6-bis(trifluoromethyl)pyridine-3-carbonyl chloride
CID 174943784
2-bromo-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 91926883
4-(difluoromethyl)-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
CID 86660075
2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 58542523
N-methyl-2,4-bis(trifluoromethyl)pyrimidine-5-carboxamide
CID 143467103
2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 87369005
ethyl 2-[[(2-chloroacetyl)amino]methyl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 166415202
2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 62945715
4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
CID 135150553

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride (CID 10846987) is 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride is O=C(Cl)c1cnc(F)nc1C(F)(F)F.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
The InChIKey is KCFRNNWIOQQKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF4N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H.
What are the key properties of 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride?
2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride has a molecular weight of 228.53 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride is sourced from PubChem (CID 10846987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).