5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine

C16H16F3NO4 — CID 86709379

IUPAC5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine
SMILESCOCOc1ccc(COCc2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C16H16F3NO4/c1-21-11-23-15-7-4-13(20-8-15)10-22-9-12-2-5-14(6-3-12)24-16(17,18)19/h2-8H,9-11H2,1H3
InChIKeyPPPNSRPEIKBUIF-UHFFFAOYSA-N
MW343.30 g/mol
LogP3.68
Rot. Bonds8

About 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine

5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine (PubChem CID 86709379) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine.

Molecular Properties

Compound Name5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine
PubChem CID86709379
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine
SMILESCOCOc1ccc(COCc2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C16H16F3NO4/c1-21-11-23-15-7-4-13(20-8-15)10-22-9-12-2-5-14(6-3-12)24-16(17,18)19/h2-8H,9-11H2,1H3
InChIKeyPPPNSRPEIKBUIF-UHFFFAOYSA-N
XLogP3.68
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-dimethylsilane
CID 86731309
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
5-(ethoxymethoxy)-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 66956046
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine
CID 65053013
2-(1,1-difluoro-1-iodo-2-methylpropan-2-yl)-5-(methoxymethoxy)pyridine
CID 162588321
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
2-ethenyl-5-(methoxymethoxy)pyridine
CID 58571048
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine?
The IUPAC name of 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine (CID 86709379) is 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine.
What is the SMILES notation for 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine?
The canonical SMILES for 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine is COCOc1ccc(COCc2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine?
The InChIKey is PPPNSRPEIKBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4/c1-21-11-23-15-7-4-13(20-8-15)10-22-9-12-2-5-14(6-3-12)24-16(17,18)19/h2-8H,9-11H2,1H3.
What are the key properties of 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine?
5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine has a molecular weight of 343.30 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethoxy)-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]pyridine is sourced from PubChem (CID 86709379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).