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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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).