(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol

C10H11F3O2 — CID 166750619

IUPAC(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc([C@](C)(O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-9(14,10(11,12)13)7-4-3-5-8(6-7)15-2/h3-6,14H,1-2H3/t9-/m0/s1
InChIKeySCYOTCALBJYUET-VIFPVBQESA-N
MW220.19 g/mol
LogP2.46
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol

(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol (PubChem CID 166750619) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
PubChem CID166750619
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc([C@](C)(O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c1-9(14,10(11,12)13)7-4-3-5-8(6-7)15-2/h3-6,14H,1-2H3/t9-/m0/s1
InChIKeySCYOTCALBJYUET-VIFPVBQESA-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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Related Compounds

(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methoxybenzene
CID 91442545
3-hydroxy-3-(3-methoxyphenyl)-2,2-dimethylbutanenitrile
CID 79130927
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23570047
1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
CID 89211813
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol (CID 166750619) is (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol is COc1cccc([C@](C)(O)C(F)(F)F)c1.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol?
The InChIKey is SCYOTCALBJYUET-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11F3O2/c1-9(14,10(11,12)13)7-4-3-5-8(6-7)15-2/h3-6,14H,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol?
(2S)-1,1,1-trifluoro-2-(3-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 (2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 166750619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).