4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane

C13H12ClF3N2O — CID 143849483

IUPAC4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
SMILESCC.FC(F)(F)Oc1ccc(-c2cc(Cl)ncn2)cc1
InChIInChI=1S/C11H6ClF3N2O.C2H6/c12-10-5-9(16-6-17-10)7-1-3-8(4-2-7)18-11(13,14)15;1-2/h1-6H;1-2H3
InChIKeyMRKSZUWXIIMACF-UHFFFAOYSA-N
MW304.70 g/mol
LogP4.72
Rot. Bonds2

About 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane

4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane (PubChem CID 143849483) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
PubChem CID143849483
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
SMILESCC.FC(F)(F)Oc1ccc(-c2cc(Cl)ncn2)cc1
InChIInChI=1S/C11H6ClF3N2O.C2H6/c12-10-5-9(16-6-17-10)7-1-3-8(4-2-7)18-11(13,14)15;1-2/h1-6H;1-2H3
InChIKeyMRKSZUWXIIMACF-UHFFFAOYSA-N
XLogP4.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
6-[4-(2-aminoethoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 166112975
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 42628828
N-(4-phenoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 171989336
ethyl 4-(6-chloropyrimidin-4-yl)benzoate
CID 24902046
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane?
The IUPAC name of 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane (CID 143849483) is 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane.
What is the SMILES notation for 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane?
The canonical SMILES for 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane is CC.FC(F)(F)Oc1ccc(-c2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane?
The InChIKey is MRKSZUWXIIMACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O.C2H6/c12-10-5-9(16-6-17-10)7-1-3-8(4-2-7)18-11(13,14)15;1-2/h1-6H;1-2H3.
What are the key properties of 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane?
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane has a molecular weight of 304.70 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane is sourced from PubChem (CID 143849483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).