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

C13H15F6NO — CID 20792424

IUPAC2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F6NO/c1-3-8(2)20-10-6-4-9(5-7-10)11(21,12(14,15)16)13(17,18)19/h4-8,20-21H,3H2,1-2H3
InChIKeyDDIGDMOXBJNGQT-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.21
Rot. Bonds4

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

2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20792424) has the molecular formula C13H15F6NO and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20792424
Molecular FormulaC13H15F6NO
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H15F6NO/c1-3-8(2)20-10-6-4-9(5-7-10)11(21,12(14,15)16)13(17,18)19/h4-8,20-21H,3H2,1-2H3
InChIKeyDDIGDMOXBJNGQT-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20792424) is 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is DDIGDMOXBJNGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO/c1-3-8(2)20-10-6-4-9(5-7-10)11(21,12(14,15)16)13(17,18)19/h4-8,20-21H,3H2,1-2H3.
What are the key properties of 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 315.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20792424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).