2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H11F6NO — CID 13401927

IUPAC2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCN(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C11H11F6NO/c1-18(2)8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h3-6,19H,1-2H3
InChIKeyKLFJZPAKMSBSIM-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.06
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 13401927) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID13401927
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCN(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C11H11F6NO/c1-18(2)8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h3-6,19H,1-2H3
InChIKeyKLFJZPAKMSBSIM-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 13401927) is 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CN(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is KLFJZPAKMSBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-18(2)8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h3-6,19H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 13401927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).