(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol

C14H10Cl3FO2 — CID 63540335

IUPAC(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3FO2/c1-7(19)14-11(18)3-2-4-12(14)20-13-6-9(16)8(15)5-10(13)17/h2-7,19H,1H3/t7-/m1/s1
InChIKeyYLHSIVFBJLGXCH-SSDOTTSWSA-N
MW335.59 g/mol
LogP5.63
Rot. Bonds3

About (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol

(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol (PubChem CID 63540335) has the molecular formula C14H10Cl3FO2 and a molecular weight of 335.59 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
PubChem CID63540335
Molecular FormulaC14H10Cl3FO2
Molecular Weight335.59 g/mol
Exact Mass333.97
IUPAC Name(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl3FO2/c1-7(19)14-11(18)3-2-4-12(14)20-13-6-9(16)8(15)5-10(13)17/h2-7,19H,1H3/t7-/m1/s1
InChIKeyYLHSIVFBJLGXCH-SSDOTTSWSA-N
XLogP5.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.59
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
(1S)-1-[2-(2,3-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 55185227
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
(1R)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78941581
(1S)-1-[2-(4-chloro-2,6-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 78944675
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
1-[2-fluoro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506269
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol (CID 63540335) is (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol is C[C@@H](O)c1c(F)cccc1Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol?
The InChIKey is YLHSIVFBJLGXCH-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H10Cl3FO2/c1-7(19)14-11(18)3-2-4-12(14)20-13-6-9(16)8(15)5-10(13)17/h2-7,19H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol?
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol has a molecular weight of 335.59 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 63540335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).