N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide

C13H10F9NO — CID 87830198

IUPACN-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](CNC(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F9NO/c1-6(5-23-10(24)13(20,21)22)7-2-8(11(14,15)16)4-9(3-7)12(17,18)19/h2-4,6H,5H2,1H3,(H,23,24)/t6-/m0/s1
InChIKeyTZIZLOARKRQWPT-LURJTMIESA-N
MW367.21 g/mol
LogP4.51
Rot. Bonds3

About N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide

N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide (PubChem CID 87830198) has the molecular formula C13H10F9NO and a molecular weight of 367.21 g/mol. Its IUPAC name is N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide
PubChem CID87830198
Molecular FormulaC13H10F9NO
Molecular Weight367.21 g/mol
Exact Mass367.06
IUPAC NameN-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide
SMILESC[C@@H](CNC(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H10F9NO/c1-6(5-23-10(24)13(20,21)22)7-2-8(11(14,15)16)4-9(3-7)12(17,18)19/h2-4,6H,5H2,1H3,(H,23,24)/t6-/m0/s1
InChIKeyTZIZLOARKRQWPT-LURJTMIESA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide (CID 87830198) is N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide is C[C@@H](CNC(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is TZIZLOARKRQWPT-LURJTMIESA-N. The full InChI is InChI=1S/C13H10F9NO/c1-6(5-23-10(24)13(20,21)22)7-2-8(11(14,15)16)4-9(3-7)12(17,18)19/h2-4,6H,5H2,1H3,(H,23,24)/t6-/m0/s1.
What are the key properties of N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide?
N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 367.21 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87830198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).