3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine

C14H8F7NO2 — CID 170311860

IUPAC3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine
SMILESCc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H8F7NO2/c1-7-4-8(24-14(19,20)21)2-3-11(7)23-9-5-10(15)12(22-6-9)13(16,17)18/h2-6H,1H3
InChIKeyJKCWJBZXBDKVGV-UHFFFAOYSA-N
MW355.21 g/mol
LogP5.24
Rot. Bonds3

About 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine

3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine (PubChem CID 170311860) has the molecular formula C14H8F7NO2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine
PubChem CID170311860
Molecular FormulaC14H8F7NO2
Molecular Weight355.21 g/mol
Exact Mass355.04
IUPAC Name3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine
SMILESCc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H8F7NO2/c1-7-4-8(24-14(19,20)21)2-3-11(7)23-9-5-10(15)12(22-6-9)13(16,17)18/h2-6H,1H3
InChIKeyJKCWJBZXBDKVGV-UHFFFAOYSA-N
XLogP5.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.21
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 170311859
5-methyl-3-[2-methyl-4-(trifluoromethoxy)phenoxy]-6-(trifluoromethyl)pyridazine-4-carboxylic acid
CID 167198499
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
4-bromo-5-(4-fluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)pyridine
CID 169249279
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 135246490
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
2-fluoro-4-(trifluoromethoxy)benzonitrile
CID 66523443

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine (CID 170311860) is 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine is Cc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine?
The InChIKey is JKCWJBZXBDKVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7NO2/c1-7-4-8(24-14(19,20)21)2-3-11(7)23-9-5-10(15)12(22-6-9)13(16,17)18/h2-6H,1H3.
What are the key properties of 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine?
3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine has a molecular weight of 355.21 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 170311860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).