[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol

C10H10F4O3 — CID 107690662

IUPAC[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
SMILESOCc1ccc(OCOCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4O3/c11-8-3-7(4-15)1-2-9(8)17-6-16-5-10(12,13)14/h1-3,15H,4-6H2
InChIKeyJCYPHOBOEKWGCH-UHFFFAOYSA-N
MW254.18 g/mol
LogP2.23
Rot. Bonds5

About [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol

[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol (PubChem CID 107690662) has the molecular formula C10H10F4O3 and a molecular weight of 254.18 g/mol. Its IUPAC name is [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
PubChem CID107690662
Molecular FormulaC10H10F4O3
Molecular Weight254.18 g/mol
Exact Mass254.06
IUPAC Name[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
SMILESOCc1ccc(OCOCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H10F4O3/c11-8-3-7(4-15)1-2-9(8)17-6-16-5-10(12,13)14/h1-3,15H,4-6H2
InChIKeyJCYPHOBOEKWGCH-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
4-(chloromethyl)-2-fluoro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 107691406
2-[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 107692532
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
4-(bromomethyl)-2-fluoro-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 107691649
2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705244
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
potassium trifluoro-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705318
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol (CID 107690662) is [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol is OCc1ccc(OCOCC(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol?
The InChIKey is JCYPHOBOEKWGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O3/c11-8-3-7(4-15)1-2-9(8)17-6-16-5-10(12,13)14/h1-3,15H,4-6H2.
What are the key properties of [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol?
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol has a molecular weight of 254.18 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol is sourced from PubChem (CID 107690662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).