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

C16H19F6NO2 — CID 10270539

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H19F6NO2/c1-4-9-23(13(24)10(2)3)12-7-5-11(6-8-12)14(25,15(17,18)19)16(20,21)22/h5-8,10,25H,4,9H2,1-3H3
InChIKeyPTWCKMHWFHZZCQ-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.40
Rot. Bonds5

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide (PubChem CID 10270539) has the molecular formula C16H19F6NO2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide
PubChem CID10270539
Molecular FormulaC16H19F6NO2
Molecular Weight371.32 g/mol
Exact Mass371.13
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H19F6NO2/c1-4-9-23(13(24)10(2)3)12-7-5-11(6-8-12)14(25,15(17,18)19)16(20,21)22/h5-8,10,25H,4,9H2,1-3H3
InChIKeyPTWCKMHWFHZZCQ-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.40
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]-2-methyl-N-propylpropanamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide (CID 10270539) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide is CCCN(C(=O)C(C)C)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]-2-methyl-N-propylpropanamide?
The InChIKey is PTWCKMHWFHZZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F6NO2/c1-4-9-23(13(24)10(2)3)12-7-5-11(6-8-12)14(25,15(17,18)19)16(20,21)22/h5-8,10,25H,4,9H2,1-3H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methyl-N-propylpropanamide has a molecular weight of 371.32 g/mol, XLogP of 4.40, 5 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]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 10270539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).