2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine

C14H10F3N5O2 — CID 130309649

IUPAC2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine
SMILESFc1cnc(OCc2cn(-c3ccc(OC(F)F)cc3)nn2)nc1
InChIInChI=1S/C14H10F3N5O2/c15-9-5-18-14(19-6-9)23-8-10-7-22(21-20-10)11-1-3-12(4-2-11)24-13(16)17/h1-7,13H,8H2
InChIKeyDLVRVIOUMSQWGU-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.38
Rot. Bonds6

About 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine

2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine (PubChem CID 130309649) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine
PubChem CID130309649
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine
SMILESFc1cnc(OCc2cn(-c3ccc(OC(F)F)cc3)nn2)nc1
InChIInChI=1S/C14H10F3N5O2/c15-9-5-18-14(19-6-9)23-8-10-7-22(21-20-10)11-1-3-12(4-2-11)24-13(16)17/h1-7,13H,8H2
InChIKeyDLVRVIOUMSQWGU-UHFFFAOYSA-N
XLogP2.38
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine
CID 44341428
N-(4-methoxyphenyl)-1-methyl-1H-[1,2,3]triazolo[4,5-c]pyridin-4-amine
CID 658874
4-[3-(Ethoxymethyl)-5-(4-fluorophenyl)triazol-4-yl]-2-phenoxypyrimidine
CID 10222044
6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815
(6S)-2-nitro-6-[[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 44627269
US10071988, Example 374
CID 130302340
US10071988, Example 167
CID 130302351
US10071988, Example 10
CID 130309375
4-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-4-
CID 130309378
US10071988, Example 22
CID 130309388
US10071988, Example 63
CID 130309420
US10071988, Example 64
CID 130309423

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine?
The IUPAC name of 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine (CID 130309649) is 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine.
What is the SMILES notation for 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine?
The canonical SMILES for 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine is Fc1cnc(OCc2cn(-c3ccc(OC(F)F)cc3)nn2)nc1.
What is the InChIKey of 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine?
The InChIKey is DLVRVIOUMSQWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-9-5-18-14(19-6-9)23-8-10-7-22(21-20-10)11-1-3-12(4-2-11)24-13(16)17/h1-7,13H,8H2.
What are the key properties of 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine?
2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine has a molecular weight of 337.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-fluoropyrimidine is sourced from PubChem (CID 130309649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).