actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol

C17H10AcF10O — CID 22950157

IUPACactinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cc(F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Ac]
InChIInChI=1S/C17H10F10O.Ac/c1-14(28,9-4-12(17(25,26)27)7-13(18)6-9)8-2-10(15(19,20)21)5-11(3-8)16(22,23)24;/h2-7,28H,1H3;
InChIKeyCFVHKILHSNTTFI-UHFFFAOYSA-N
MW647.25 g/mol
LogP6.14
Rot. Bonds2

About actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol

actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 22950157) has the molecular formula C17H10AcF10O and a molecular weight of 647.25 g/mol. Its IUPAC name is actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Nameactinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
PubChem CID22950157
Molecular FormulaC17H10AcF10O
Molecular Weight647.25 g/mol
Exact Mass647.08
IUPAC Nameactinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)(c1cc(F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Ac]
InChIInChI=1S/C17H10F10O.Ac/c1-14(28,9-4-12(17(25,26)27)7-13(18)6-9)8-2-10(15(19,20)21)5-11(3-8)16(22,23)24;/h2-7,28H,1H3;
InChIKeyCFVHKILHSNTTFI-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.25
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276
1-(3,4-dimethylphenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79692579
1-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62786600
2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
CID 10830106
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
1-(3,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 55116357

Frequently Asked Questions

What is the IUPAC name of actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol (CID 22950157) is actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol is CC(O)(c1cc(F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Ac].
What is the InChIKey of actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is CFVHKILHSNTTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F10O.Ac/c1-14(28,9-4-12(17(25,26)27)7-13(18)6-9)8-2-10(15(19,20)21)5-11(3-8)16(22,23)24;/h2-7,28H,1H3;.
What are the key properties of actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol?
actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 647.25 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 22950157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).