1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol

C12H14F4O3 — CID 107719630

IUPAC1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OCCOCC(F)(F)F)cc1F
InChIInChI=1S/C12H14F4O3/c1-8(17)10-3-2-9(6-11(10)13)19-5-4-18-7-12(14,15)16/h2-3,6,8,17H,4-5,7H2,1H3
InChIKeySBYAEIWVYRCEAF-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol

1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol (PubChem CID 107719630) has the molecular formula C12H14F4O3 and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
PubChem CID107719630
Molecular FormulaC12H14F4O3
Molecular Weight282.23 g/mol
Exact Mass282.09
IUPAC Name1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
SMILESCC(O)c1ccc(OCCOCC(F)(F)F)cc1F
InChIInChI=1S/C12H14F4O3/c1-8(17)10-3-2-9(6-11(10)13)19-5-4-18-7-12(14,15)16/h2-3,6,8,17H,4-5,7H2,1H3
InChIKeySBYAEIWVYRCEAF-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 65202998
(1S)-1-[4-(2-ethylsulfanylethoxy)-2-fluorophenyl]ethanol
CID 107720663
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
1-[4-(3-ethylsulfanylpropoxy)-2-fluorophenyl]ethanol
CID 107719614
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol (CID 107719630) is 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol is CC(O)c1ccc(OCCOCC(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
The InChIKey is SBYAEIWVYRCEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O3/c1-8(17)10-3-2-9(6-11(10)13)19-5-4-18-7-12(14,15)16/h2-3,6,8,17H,4-5,7H2,1H3.
What are the key properties of 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol has a molecular weight of 282.23 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107719630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).