1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

C11H12F4O3 — CID 113389652

IUPAC1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESC[C@@H](O)c1ccc(OCC(O)C(F)(F)F)c(F)c1
InChIInChI=1S/C11H12F4O3/c1-6(16)7-2-3-9(8(12)4-7)18-5-10(17)11(13,14)15/h2-4,6,10,16-17H,5H2,1H3/t6-,10?/m1/s1
InChIKeyLBQIYVMPJVWXFH-ZMMDDIOLSA-N
MW268.21 g/mol
LogP2.18
Rot. Bonds4

About 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (PubChem CID 113389652) has the molecular formula C11H12F4O3 and a molecular weight of 268.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
PubChem CID113389652
Molecular FormulaC11H12F4O3
Molecular Weight268.21 g/mol
Exact Mass268.07
IUPAC Name1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESC[C@@H](O)c1ccc(OCC(O)C(F)(F)F)c(F)c1
InChIInChI=1S/C11H12F4O3/c1-6(16)7-2-3-9(8(12)4-7)18-5-10(17)11(13,14)15/h2-4,6,10,16-17H,5H2,1H3/t6-,10?/m1/s1
InChIKeyLBQIYVMPJVWXFH-ZMMDDIOLSA-N
XLogP2.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[2-fluoro-4-(trifluoromethyl)phenoxy]propan-2-ol
CID 156853269
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314
1-[2-fluoro-4-(1-hydroxyethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991174
1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
3-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 113389676
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
2-fluoro-4-[2,2,2-trifluoro-1-[3-fluoro-4-(2-hydroxypropoxy)phenyl]ethyl]phenol
CID 174256185
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
(1R)-1-[3-fluoro-4-(4-methoxybutoxy)phenyl]ethanol
CID 104648044
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
(1S)-1-[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863655
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (CID 113389652) is 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is C[C@@H](O)c1ccc(OCC(O)C(F)(F)F)c(F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The InChIKey is LBQIYVMPJVWXFH-ZMMDDIOLSA-N. The full InChI is InChI=1S/C11H12F4O3/c1-6(16)7-2-3-9(8(12)4-7)18-5-10(17)11(13,14)15/h2-4,6,10,16-17H,5H2,1H3/t6-,10?/m1/s1.
What are the key properties of 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol has a molecular weight of 268.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 113389652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).