1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol

C10H8F7NO — CID 12023680

IUPAC1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol
SMILESOC(CNc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-6-1-3-7(4-2-6)18-5-8(19,9(12,13)14)10(15,16)17/h1-4,18-19H,5H2
InChIKeyOZPBMPXPBVZMLA-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.09
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol (PubChem CID 12023680) has the molecular formula C10H8F7NO and a molecular weight of 291.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol
PubChem CID12023680
Molecular FormulaC10H8F7NO
Molecular Weight291.17 g/mol
Exact Mass291.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol
SMILESOC(CNc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-6-1-3-7(4-2-6)18-5-8(19,9(12,13)14)10(15,16)17/h1-4,18-19H,5H2
InChIKeyOZPBMPXPBVZMLA-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol (CID 12023680) is 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol is OC(CNc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol?
The InChIKey is OZPBMPXPBVZMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F7NO/c11-6-1-3-7(4-2-6)18-5-8(19,9(12,13)14)10(15,16)17/h1-4,18-19H,5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol has a molecular weight of 291.17 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(4-fluoroanilino)methyl]propan-2-ol is sourced from PubChem (CID 12023680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).