5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine

C14H8ClF4N5O — CID 130309739

IUPAC5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFc1c(-n2cc(COc3ncc(Cl)cn3)nn2)cccc1C(F)(F)F
InChIInChI=1S/C14H8ClF4N5O/c15-8-4-20-13(21-5-8)25-7-9-6-24(23-22-9)11-3-1-2-10(12(11)16)14(17,18)19/h1-6H,7H2
InChIKeyMSFRGMPMHCMHCT-UHFFFAOYSA-N
MW373.70 g/mol
LogP3.45
Rot. Bonds4

About 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine

5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309739) has the molecular formula C14H8ClF4N5O and a molecular weight of 373.70 g/mol. Its IUPAC name is 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309739
Molecular FormulaC14H8ClF4N5O
Molecular Weight373.70 g/mol
Exact Mass373.04
IUPAC Name5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFc1c(-n2cc(COc3ncc(Cl)cn3)nn2)cccc1C(F)(F)F
InChIInChI=1S/C14H8ClF4N5O/c15-8-4-20-13(21-5-8)25-7-9-6-24(23-22-9)11-3-1-2-10(12(11)16)14(17,18)19/h1-6H,7H2
InChIKeyMSFRGMPMHCMHCT-UHFFFAOYSA-N
XLogP3.45
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309739) is 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine is Fc1c(-n2cc(COc3ncc(Cl)cn3)nn2)cccc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is MSFRGMPMHCMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N5O/c15-8-4-20-13(21-5-8)25-7-9-6-24(23-22-9)11-3-1-2-10(12(11)16)14(17,18)19/h1-6H,7H2.
What are the key properties of 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine?
5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 373.70 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[1-[2-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).