2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol

C14H19F3O3 — CID 116535938

IUPAC2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
SMILESCOc1ccc(C(C)(O)CCCC(F)(F)F)cc1OC
InChIInChI=1S/C14H19F3O3/c1-13(18,7-4-8-14(15,16)17)10-5-6-11(19-2)12(9-10)20-3/h5-6,9,18H,4,7-8H2,1-3H3
InChIKeyAJBKSLCIYMYIAF-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.64
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol

2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol (PubChem CID 116535938) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
PubChem CID116535938
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
SMILESCOc1ccc(C(C)(O)CCCC(F)(F)F)cc1OC
InChIInChI=1S/C14H19F3O3/c1-13(18,7-4-8-14(15,16)17)10-5-6-11(19-2)12(9-10)20-3/h5-6,9,18H,4,7-8H2,1-3H3
InChIKeyAJBKSLCIYMYIAF-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
CID 116536006
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 113490189
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720
2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol (CID 116535938) is 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol is COc1ccc(C(C)(O)CCCC(F)(F)F)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is AJBKSLCIYMYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3/c1-13(18,7-4-8-14(15,16)17)10-5-6-11(19-2)12(9-10)20-3/h5-6,9,18H,4,7-8H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol?
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 292.30 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 116535938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).