2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine

C14H11F6N3 — CID 160690162

IUPAC2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine
SMILESFC(F)(F)c1ccc(C2CCN2)cc1.Fc1ncc(F)c(F)n1
InChIInChI=1S/C10H10F3N.C4HF3N2/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-9;5-2-1-8-4(7)9-3(2)6/h1-4,9,14H,5-6H2;1H
InChIKeyRPHNIFMJHVTKIK-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.63
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine

2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine (PubChem CID 160690162) has the molecular formula C14H11F6N3 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine
PubChem CID160690162
Molecular FormulaC14H11F6N3
Molecular Weight335.25 g/mol
Exact Mass335.09
IUPAC Name2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine
SMILESFC(F)(F)c1ccc(C2CCN2)cc1.Fc1ncc(F)c(F)n1
InChIInChI=1S/C10H10F3N.C4HF3N2/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-9;5-2-1-8-4(7)9-3(2)6/h1-4,9,14H,5-6H2;1H
InChIKeyRPHNIFMJHVTKIK-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 3540131
(2S)-2-[3-fluoro-5-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171196840
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
(2S)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazine
CID 171193949
3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
CID 105470618
(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 28775424
[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
CID 171373474
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine (CID 160690162) is 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine is FC(F)(F)c1ccc(C2CCN2)cc1.Fc1ncc(F)c(F)n1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine?
The InChIKey is RPHNIFMJHVTKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N.C4HF3N2/c11-10(12,13)8-3-1-7(2-4-8)9-5-6-14-9;5-2-1-8-4(7)9-3(2)6/h1-4,9,14H,5-6H2;1H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine?
2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine has a molecular weight of 335.25 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]azetidine;2,4,5-trifluoropyrimidine is sourced from PubChem (CID 160690162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).