4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine

C16H14F5NO — CID 167343978

IUPAC4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(F)c(Oc2ccnc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C16H14F5NO/c1-15(2,3)9-6-11(17)14(12(18)7-9)23-10-4-5-22-13(8-10)16(19,20)21/h4-8H,1-3H3
InChIKeyPOBWTCOZXCFIFG-UHFFFAOYSA-N
MW331.28 g/mol
LogP5.47
Rot. Bonds2

About 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine

4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine (PubChem CID 167343978) has the molecular formula C16H14F5NO and a molecular weight of 331.28 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
PubChem CID167343978
Molecular FormulaC16H14F5NO
Molecular Weight331.28 g/mol
Exact Mass331.10
IUPAC Name4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(F)c(Oc2ccnc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C16H14F5NO/c1-15(2,3)9-6-11(17)14(12(18)7-9)23-10-4-5-22-13(8-10)16(19,20)21/h4-8H,1-3H3
InChIKeyPOBWTCOZXCFIFG-UHFFFAOYSA-N
XLogP5.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.28
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol
CID 138720637
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496
7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,2-dimethyl-1,3,6,7-tetrahydroimidazo[1,2-c]pyrimidin-5-one
CID 140797883
3-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-7,8,8-trimethyl-5,6,7,9-tetrahydropyrimido[1,6-a]azepin-1-one
CID 123657518
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
(4R,6S)-4-amino-11-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-2,8-diazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 139313240
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
(2S)-7-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-13-oxa-4,6,10-triazatetracyclo[10.1.1.02,10.04,9]tetradeca-6,8-dien-5-one
CID 176747920
(9R)-4-[[3,5-difluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]methoxy]-11-oxa-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 118686246

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine (CID 167343978) is 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine is CC(C)(C)c1cc(F)c(Oc2ccnc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is POBWTCOZXCFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5NO/c1-15(2,3)9-6-11(17)14(12(18)7-9)23-10-4-5-22-13(8-10)16(19,20)21/h4-8H,1-3H3.
What are the key properties of 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine?
4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 331.28 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167343978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).