N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide

C19H17F6NO3 — CID 118709866

IUPACN-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H17F6NO3/c1-26(16(28)13-5-3-2-4-6-13)15-9-7-14(8-10-15)17(18(20,21)22,19(23,24)25)29-12-11-27/h2-10,27H,11-12H2,1H3
InChIKeyUTKQXDFGRQMZRT-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.29
Rot. Bonds6

About N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide

N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide (PubChem CID 118709866) has the molecular formula C19H17F6NO3 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide
PubChem CID118709866
Molecular FormulaC19H17F6NO3
Molecular Weight421.34 g/mol
Exact Mass421.11
IUPAC NameN-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1ccc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H17F6NO3/c1-26(16(28)13-5-3-2-4-6-13)15-9-7-14(8-10-15)17(18(20,21)22,19(23,24)25)29-12-11-27/h2-10,27H,11-12H2,1H3
InChIKeyUTKQXDFGRQMZRT-UHFFFAOYSA-N
XLogP4.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide?
The IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide (CID 118709866) is N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide?
The canonical SMILES for N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)c1ccc(C(OCCO)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide?
The InChIKey is UTKQXDFGRQMZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO3/c1-26(16(28)13-5-3-2-4-6-13)15-9-7-14(8-10-15)17(18(20,21)22,19(23,24)25)29-12-11-27/h2-10,27H,11-12H2,1H3.
What are the key properties of N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide?
N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide has a molecular weight of 421.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethoxy)propan-2-yl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 118709866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).