2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine

C18H10Cl2F4N2O — CID 151441168

IUPAC2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Oc1ccc(Cc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H10Cl2F4N2O/c19-14-6-3-11(8-13(14)18(22,23)24)7-10-1-4-12(5-2-10)27-16-15(21)9-25-17(20)26-16/h1-6,8-9H,7H2
InChIKeyPENZRLZBFKEYLQ-UHFFFAOYSA-N
MW417.19 g/mol
LogP6.32
Rot. Bonds4

About 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine

2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine (PubChem CID 151441168) has the molecular formula C18H10Cl2F4N2O and a molecular weight of 417.19 g/mol. Its IUPAC name is 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine
PubChem CID151441168
Molecular FormulaC18H10Cl2F4N2O
Molecular Weight417.19 g/mol
Exact Mass416.01
IUPAC Name2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1Oc1ccc(Cc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H10Cl2F4N2O/c19-14-6-3-11(8-13(14)18(22,23)24)7-10-1-4-12(5-2-10)27-16-15(21)9-25-17(20)26-16/h1-6,8-9H,7H2
InChIKeyPENZRLZBFKEYLQ-UHFFFAOYSA-N
XLogP6.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.19
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine
CID 88532884
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
CID 79081506
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
2-chloro-5-fluoro-4-[2-(4-fluorophenyl)ethoxy]pyrimidine
CID 88532355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine (CID 151441168) is 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine is Fc1cnc(Cl)nc1Oc1ccc(Cc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine?
The InChIKey is PENZRLZBFKEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F4N2O/c19-14-6-3-11(8-13(14)18(22,23)24)7-10-1-4-12(5-2-10)27-16-15(21)9-25-17(20)26-16/h1-6,8-9H,7H2.
What are the key properties of 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine?
2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine has a molecular weight of 417.19 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine is sourced from PubChem (CID 151441168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).