(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol

C12H11F7O3 — CID 13460352

IUPAC(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol
SMILESCOc1cccc([C@@H](O)C(F)(C(F)(F)F)C(F)(F)F)c1OC
InChIInChI=1S/C12H11F7O3/c1-21-7-5-3-4-6(8(7)22-2)9(20)10(13,11(14,15)16)12(17,18)19/h3-5,9,20H,1-2H3/t9-/m1/s1
InChIKeyWYNNZIWHRHFFBS-SECBINFHSA-N
MW336.20 g/mol
LogP3.57
Rot. Bonds4

About (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol

(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 13460352) has the molecular formula C12H11F7O3 and a molecular weight of 336.20 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID13460352
Molecular FormulaC12H11F7O3
Molecular Weight336.20 g/mol
Exact Mass336.06
IUPAC Name(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol
SMILESCOc1cccc([C@@H](O)C(F)(C(F)(F)F)C(F)(F)F)c1OC
InChIInChI=1S/C12H11F7O3/c1-21-7-5-3-4-6(8(7)22-2)9(20)10(13,11(14,15)16)12(17,18)19/h3-5,9,20H,1-2H3/t9-/m1/s1
InChIKeyWYNNZIWHRHFFBS-SECBINFHSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
1-(2,3-dimethoxyphenyl)prop-2-yn-1-ol
CID 14037720
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol (CID 13460352) is (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol is COc1cccc([C@@H](O)C(F)(C(F)(F)F)C(F)(F)F)c1OC.
What is the InChIKey of (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is WYNNZIWHRHFFBS-SECBINFHSA-N. The full InChI is InChI=1S/C12H11F7O3/c1-21-7-5-3-4-6(8(7)22-2)9(20)10(13,11(14,15)16)12(17,18)19/h3-5,9,20H,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol?
(1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 336.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethoxyphenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 13460352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).