3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide

C13H13F6NO2 — CID 11278899

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide
SMILESCCC(O)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6NO2/c1-2-11(22,6-10(20)21)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-5,22H,2,6H2,1H3,(H2,20,21)
InChIKeyAQSTWXNZDUSIKX-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.20
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide

3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide (PubChem CID 11278899) has the molecular formula C13H13F6NO2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide
PubChem CID11278899
Molecular FormulaC13H13F6NO2
Molecular Weight329.24 g/mol
Exact Mass329.09
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide
SMILESCCC(O)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F6NO2/c1-2-11(22,6-10(20)21)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-5,22H,2,6H2,1H3,(H2,20,21)
InChIKeyAQSTWXNZDUSIKX-UHFFFAOYSA-N
XLogP3.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide (CID 11278899) is 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide is CCC(O)(CC(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide?
The InChIKey is AQSTWXNZDUSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO2/c1-2-11(22,6-10(20)21)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-5,22H,2,6H2,1H3,(H2,20,21).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide?
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide has a molecular weight of 329.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxypentanamide is sourced from PubChem (CID 11278899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).