N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide

C17H21F6NO2 — CID 10110611

IUPACN-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H21F6NO2/c1-4-5-10-24(14(25)11(2)3)13-8-6-12(7-9-13)15(26,16(18,19)20)17(21,22)23/h6-9,11,26H,4-5,10H2,1-3H3
InChIKeyZNYFZRNKJSFVOR-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.79
Rot. Bonds6

About N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide

N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide (PubChem CID 10110611) has the molecular formula C17H21F6NO2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide
PubChem CID10110611
Molecular FormulaC17H21F6NO2
Molecular Weight385.35 g/mol
Exact Mass385.15
IUPAC NameN-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide
SMILESCCCCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H21F6NO2/c1-4-5-10-24(14(25)11(2)3)13-8-6-12(7-9-13)15(26,16(18,19)20)17(21,22)23/h6-9,11,26H,4-5,10H2,1-3H3
InChIKeyZNYFZRNKJSFVOR-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide (CID 10110611) is N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide is CCCCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is ZNYFZRNKJSFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F6NO2/c1-4-5-10-24(14(25)11(2)3)13-8-6-12(7-9-13)15(26,16(18,19)20)17(21,22)23/h6-9,11,26H,4-5,10H2,1-3H3.
What are the key properties of N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide?
N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 385.35 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 10110611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).