1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol

C11H11F6NO — CID 20704022

IUPAC1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
SMILESCC(O)(c1ccc(NCC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C11H11F6NO/c1-9(19,11(15,16)17)7-2-4-8(5-3-7)18-6-10(12,13)14/h2-5,18-19H,6H2,1H3
InChIKeyZEVPXJFQTQBPKS-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.43
Rot. Bonds3

About 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol

1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol (PubChem CID 20704022) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
PubChem CID20704022
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
SMILESCC(O)(c1ccc(NCC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C11H11F6NO/c1-9(19,11(15,16)17)7-2-4-8(5-3-7)18-6-10(12,13)14/h2-5,18-19H,6H2,1H3
InChIKeyZEVPXJFQTQBPKS-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol (CID 20704022) is 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol is CC(O)(c1ccc(NCC(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
The InChIKey is ZEVPXJFQTQBPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c1-9(19,11(15,16)17)7-2-4-8(5-3-7)18-6-10(12,13)14/h2-5,18-19H,6H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol is sourced from PubChem (CID 20704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).