ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one

C21H25F4NO3 — CID 144796115

IUPACethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one
SMILESCC.CCc1cc(C(O)C(F)(F)F)nc(-c2ccc(F)c(C)c2)c1OCC(C)=O
InChIInChI=1S/C19H19F4NO3.C2H6/c1-4-12-8-15(18(26)19(21,22)23)24-16(17(12)27-9-11(3)25)13-5-6-14(20)10(2)7-13;1-2/h5-8,18,26H,4,9H2,1-3H3;1-2H3
InChIKeyHYZPIPBIXYCLFT-UHFFFAOYSA-N
MW415.43 g/mol
LogP5.35
Rot. Bonds6

About ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one

ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one (PubChem CID 144796115) has the molecular formula C21H25F4NO3 and a molecular weight of 415.43 g/mol. Its IUPAC name is ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one.

Molecular Properties

Compound Nameethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one
PubChem CID144796115
Molecular FormulaC21H25F4NO3
Molecular Weight415.43 g/mol
Exact Mass415.18
IUPAC Nameethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one
SMILESCC.CCc1cc(C(O)C(F)(F)F)nc(-c2ccc(F)c(C)c2)c1OCC(C)=O
InChIInChI=1S/C19H19F4NO3.C2H6/c1-4-12-8-15(18(26)19(21,22)23)24-16(17(12)27-9-11(3)25)13-5-6-14(20)10(2)7-13;1-2/h5-8,18,26H,4,9H2,1-3H3;1-2H3
InChIKeyHYZPIPBIXYCLFT-UHFFFAOYSA-N
XLogP5.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]ethanol
CID 172440707
3-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172451577
3-[4-[[5-(Difluoromethoxy)-6-(3-methoxyphenyl)-2-pyridinyl]methyl]phenyl]propan-1-ol
CID 172464980
2-[4-[[6-[3-(Difluoromethoxy)phenyl]-5-methoxy-2-pyridinyl]methyl]phenyl]ethanol
CID 172468583
[6-Methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol
CID 71867088
C18H22Fno
CID 20092130
3-Benzyloxy-2,6-bis(hydroxymethyl)pyridine
CID 12397255
(2E,4E,6Z)-7-[3-(2,2-difluoroethoxy)-2,6-di(propan-2-yl)pyridin-4-yl]-3-methylocta-2,4,6-trienoic acid
CID 10271902
(2E,4E,6Z)-7-[2,6-di(propan-2-yl)-3-(2,2,2-trifluoroethoxy)pyridin-4-yl]-3-methylocta-2,4,6-trienoic acid
CID 10295093
2-Methyl-6-{4-[1-(4-fluorophenyl)-1-hydroxypropyl]-phenoxymethyl}-pyridine
CID 13882400
1-[4-[(6-Methylpyridin-2-yl)methoxy]phenyl]-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 13882401
1-[4-[(6-Methylpyridin-2-yl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 13882407

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one?
The IUPAC name of ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one (CID 144796115) is ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one.
What is the SMILES notation for ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one?
The canonical SMILES for ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one is CC.CCc1cc(C(O)C(F)(F)F)nc(-c2ccc(F)c(C)c2)c1OCC(C)=O.
What is the InChIKey of ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one?
The InChIKey is HYZPIPBIXYCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO3.C2H6/c1-4-12-8-15(18(26)19(21,22)23)24-16(17(12)27-9-11(3)25)13-5-6-14(20)10(2)7-13;1-2/h5-8,18,26H,4,9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one?
ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one has a molecular weight of 415.43 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[4-ethyl-2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]oxy]propan-2-one is sourced from PubChem (CID 144796115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).