2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C11H10ClF6N3 — CID 114562711

IUPAC2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(C(F)(F)F)CC2)nc(Cl)n1
InChIInChI=1S/C11H10ClF6N3/c12-9-19-7(11(16,17)18)5-8(20-9)21-3-1-6(2-4-21)10(13,14)15/h5-6H,1-4H2
InChIKeyGCXQINYLCFUEPR-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.93
Rot. Bonds1

About 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 114562711) has the molecular formula C11H10ClF6N3 and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID114562711
Molecular FormulaC11H10ClF6N3
Molecular Weight333.66 g/mol
Exact Mass333.05
IUPAC Name2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(N2CCC(C(F)(F)F)CC2)nc(Cl)n1
InChIInChI=1S/C11H10ClF6N3/c12-9-19-7(11(16,17)18)5-8(20-9)21-3-1-6(2-4-21)10(13,14)15/h5-6H,1-4H2
InChIKeyGCXQINYLCFUEPR-UHFFFAOYSA-N
XLogP3.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperidin-1-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562532
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562342
3-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 114562738
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 114562594
1-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 114562180
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 79033428
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562432
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
CID 175640206
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114562285
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 114562711) is 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)c1cc(N2CCC(C(F)(F)F)CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is GCXQINYLCFUEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF6N3/c12-9-19-7(11(16,17)18)5-8(20-9)21-3-1-6(2-4-21)10(13,14)15/h5-6H,1-4H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 333.66 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 114562711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).