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

C17H19F6NO2 — CID 20704185

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H19F6NO2/c1-24(14(25)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(26,16(18,19)20)17(21,22)23/h7-11,26H,2-6H2,1H3
InChIKeyABOGTLKPNSXOHW-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.54
Rot. Bonds3

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide (PubChem CID 20704185) has the molecular formula C17H19F6NO2 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide
PubChem CID20704185
Molecular FormulaC17H19F6NO2
Molecular Weight383.33 g/mol
Exact Mass383.13
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H19F6NO2/c1-24(14(25)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(26,16(18,19)20)17(21,22)23/h7-11,26H,2-6H2,1H3
InChIKeyABOGTLKPNSXOHW-UHFFFAOYSA-N
XLogP4.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide (CID 20704185) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide?
The InChIKey is ABOGTLKPNSXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F6NO2/c1-24(14(25)11-5-3-2-4-6-11)13-9-7-12(8-10-13)15(26,16(18,19)20)17(21,22)23/h7-11,26H,2-6H2,1H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide has a molecular weight of 383.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 20704185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).