[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol

C14H11F4NO2 — CID 138720637

IUPAC[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol
SMILESCC(F)(F)c1cc(Oc2c(F)cc(CO)cc2F)ccn1
InChIInChI=1S/C14H11F4NO2/c1-14(17,18)12-6-9(2-3-19-12)21-13-10(15)4-8(7-20)5-11(13)16/h2-6,20H,7H2,1H3
InChIKeyLDEXPQQYRBRZPO-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.76
Rot. Bonds4

About [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol

[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol (PubChem CID 138720637) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol
PubChem CID138720637
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol
SMILESCC(F)(F)c1cc(Oc2c(F)cc(CO)cc2F)ccn1
InChIInChI=1S/C14H11F4NO2/c1-14(17,18)12-6-9(2-3-19-12)21-13-10(15)4-8(7-20)5-11(13)16/h2-6,20H,7H2,1H3
InChIKeyLDEXPQQYRBRZPO-UHFFFAOYSA-N
XLogP3.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butyl-2,6-difluorophenoxy)-2-(trifluoromethyl)pyridine
CID 167343978
[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108438
2-(1,1-difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]pyridine;formamide
CID 144770920
(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol
CID 107387514
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
[4-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methanol
CID 64600418
[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79888570
2-[4-(hydroxymethyl)-2-pyridinyl]propan-2-ol
CID 58538697
3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
CID 63183962
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-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethanol;ethane
CID 145108455

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol (CID 138720637) is [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol is CC(F)(F)c1cc(Oc2c(F)cc(CO)cc2F)ccn1.
What is the InChIKey of [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol?
The InChIKey is LDEXPQQYRBRZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c1-14(17,18)12-6-9(2-3-19-12)21-13-10(15)4-8(7-20)5-11(13)16/h2-6,20H,7H2,1H3.
What are the key properties of [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol?
[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol has a molecular weight of 301.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 138720637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).