1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol

C12H13F6NO — CID 11616415

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol
SMILESCCCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H13F6NO/c1-2-7-19-9-5-3-8(4-6-9)10(20,11(13,14)15)12(16,17)18/h3-6,19-20H,2,7H2,1H3
InChIKeyCGPTXLPKLSGZHK-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.82
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol (PubChem CID 11616415) has the molecular formula C12H13F6NO and a molecular weight of 301.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol
PubChem CID11616415
Molecular FormulaC12H13F6NO
Molecular Weight301.23 g/mol
Exact Mass301.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol
SMILESCCCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H13F6NO/c1-2-7-19-9-5-3-8(4-6-9)10(20,11(13,14)15)12(16,17)18/h3-6,19-20H,2,7H2,1H3
InChIKeyCGPTXLPKLSGZHK-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.82
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-(propylamino)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol (CID 11616415) is 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol is CCCNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol?
The InChIKey is CGPTXLPKLSGZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6NO/c1-2-7-19-9-5-3-8(4-6-9)10(20,11(13,14)15)12(16,17)18/h3-6,19-20H,2,7H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(propylamino)phenyl]propan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 3.82, 4 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-(propylamino)phenyl]propan-2-ol is sourced from PubChem (CID 11616415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).