1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol

C12H6F12O — CID 139965753

IUPAC1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C12H6F12O/c1-3(25)4-2-5(9(13,14)15)7(11(19,20)21)8(12(22,23)24)6(4)10(16,17)18/h2-3,25H,1H3
InChIKeyHMSADOLSXSCNJP-UHFFFAOYSA-N
MW394.16 g/mol
LogP5.82
Rot. Bonds1

About 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol

1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol (PubChem CID 139965753) has the molecular formula C12H6F12O and a molecular weight of 394.16 g/mol. Its IUPAC name is 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol
PubChem CID139965753
Molecular FormulaC12H6F12O
Molecular Weight394.16 g/mol
Exact Mass394.02
IUPAC Name1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C12H6F12O/c1-3(25)4-2-5(9(13,14)15)7(11(19,20)21)8(12(22,23)24)6(4)10(16,17)18/h2-3,25H,1H3
InChIKeyHMSADOLSXSCNJP-UHFFFAOYSA-N
XLogP5.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.16
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine
CID 139965918
4-(1-hydroxyethyl)-3-(trifluoromethyl)phenol
CID 84673833
2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol
CID 139965707
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 178201686
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine
CID 139965971
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
2-[4-butan-2-yl-2,3-bis(trifluoromethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-butan-2-yl-2,6-bis(trifluoromethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91540539
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
CID 107892736

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol (CID 139965753) is 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol is CC(O)c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol?
The InChIKey is HMSADOLSXSCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F12O/c1-3(25)4-2-5(9(13,14)15)7(11(19,20)21)8(12(22,23)24)6(4)10(16,17)18/h2-3,25H,1H3.
What are the key properties of 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol?
1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol has a molecular weight of 394.16 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 139965753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).