[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol

C10H11F3O2 — CID 84685355

IUPAC[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol
SMILESCOc1c(F)cc(C(C)(F)F)cc1CO
InChIInChI=1S/C10H11F3O2/c1-10(12,13)7-3-6(5-14)9(15-2)8(11)4-7/h3-4,14H,5H2,1-2H3
InChIKeyHZJBIERWQYORBI-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.44
Rot. Bonds3

About [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol

[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol (PubChem CID 84685355) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol
PubChem CID84685355
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol
SMILESCOc1c(F)cc(C(C)(F)F)cc1CO
InChIInChI=1S/C10H11F3O2/c1-10(12,13)7-3-6(5-14)9(15-2)8(11)4-7/h3-4,14H,5H2,1-2H3
InChIKeyHZJBIERWQYORBI-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-N-methylmethanamine
CID 84696551
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]butan-1-amine
CID 117407119
2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117409979
5-(1,1-difluoroethyl)-1-fluoro-3-(isocyanatomethyl)-2-methoxybenzene
CID 117364180
1-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]cyclopropan-1-ol
CID 117367345
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
(5-fluoro-2-methoxy-3-methylphenyl)methanol
CID 84653739
4-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]piperidine
CID 117435548
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943
3-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117319522

Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol?
The IUPAC name of [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol (CID 84685355) is [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol?
The canonical SMILES for [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol is COc1c(F)cc(C(C)(F)F)cc1CO.
What is the InChIKey of [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol?
The InChIKey is HZJBIERWQYORBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-10(12,13)7-3-6(5-14)9(15-2)8(11)4-7/h3-4,14H,5H2,1-2H3.
What are the key properties of [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol?
[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol has a molecular weight of 220.19 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]methanol is sourced from PubChem (CID 84685355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).