2-[3,5-bis(trifluoromethyl)phenoxy]propanamide

C11H9F6NO2 — CID 13242436

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H9F6NO2/c1-5(9(18)19)20-8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-5H,1H3,(H2,18,19)
InChIKeyZPRVUSMSDMDKLC-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.98
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide

2-[3,5-bis(trifluoromethyl)phenoxy]propanamide (PubChem CID 13242436) has the molecular formula C11H9F6NO2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
PubChem CID13242436
Molecular FormulaC11H9F6NO2
Molecular Weight301.19 g/mol
Exact Mass301.05
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
SMILESCC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C11H9F6NO2/c1-5(9(18)19)20-8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-5H,1H3,(H2,18,19)
InChIKeyZPRVUSMSDMDKLC-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-chloro-5-(trifluoromethyl)phenoxy]propanamide
CID 129078555
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
[(2S)-1-amino-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 7796154
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 7796196
[3,5-bis(trifluoromethyl)phenyl] 2-methylpropanoate
CID 87431527
(3S)-3-[3-chloro-5-(trifluoromethyl)phenoxy]butan-2-one
CID 159441431
(3S)-3-[3,5-bis(trifluoromethyl)phenoxy]butanoic acid
CID 103548042
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 20599034
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
methyl (2S)-2-(3,5-ditert-butylphenoxy)propanoate
CID 103337876

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide (CID 13242436) is 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide is CC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide?
The InChIKey is ZPRVUSMSDMDKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO2/c1-5(9(18)19)20-8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-5H,1H3,(H2,18,19).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide?
2-[3,5-bis(trifluoromethyl)phenoxy]propanamide has a molecular weight of 301.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 13242436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).