(2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol

C10H11F3O2 — CID 25133091

IUPAC(2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc([C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3-6,14H,1-2H3/t9-/m1/s1
InChIKeyLCRHNHSPQULWRG-SECBINFHSA-N
MW220.19 g/mol
LogP2.46
Rot. Bonds2

About (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol

(2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol (PubChem CID 25133091) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
PubChem CID25133091
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc([C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3-6,14H,1-2H3/t9-/m1/s1
InChIKeyLCRHNHSPQULWRG-SECBINFHSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol (CID 25133091) is (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol is COc1ccc([C@@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
The InChIKey is LCRHNHSPQULWRG-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-9(14,10(11,12)13)7-3-5-8(15-2)6-4-7/h3-6,14H,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol?
(2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 25133091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).