4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole

C10H9F2N3O2 — CID 156627007

IUPAC4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole
SMILESCOc1n[nH]nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F2N3O2/c1-16-9-8(13-15-14-9)6-2-4-7(5-3-6)17-10(11)12/h2-5,10H,1H3,(H,13,14,15)
InChIKeyXQJNSMFDDHKTNK-UHFFFAOYSA-N
MW241.20 g/mol
LogP2.08
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole

4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole (PubChem CID 156627007) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole
PubChem CID156627007
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole
SMILESCOc1n[nH]nc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F2N3O2/c1-16-9-8(13-15-14-9)6-2-4-7(5-3-6)17-10(11)12/h2-5,10H,1H3,(H,13,14,15)
InChIKeyXQJNSMFDDHKTNK-UHFFFAOYSA-N
XLogP2.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-5-methoxy-2H-triazole
CID 156626992
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586923
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139927237
4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine
CID 62082904
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
3-[4-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61266470
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
CID 151277815
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
8-[4-(difluoromethoxy)phenyl]-7-methoxy-2-propyl-1,6-naphthyridine
CID 155757550

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole (CID 156627007) is 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole is COc1n[nH]nc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole?
The InChIKey is XQJNSMFDDHKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-16-9-8(13-15-14-9)6-2-4-7(5-3-6)17-10(11)12/h2-5,10H,1H3,(H,13,14,15).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole?
4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole has a molecular weight of 241.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-5-methoxy-2H-triazole is sourced from PubChem (CID 156627007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).