2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide

C13H16F3NO2 — CID 66848411

IUPAC2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCC(Cc1cccc(OC(F)(F)F)c1)C(N)=O
InChIInChI=1S/C13H16F3NO2/c1-2-4-10(12(17)18)7-9-5-3-6-11(8-9)19-13(14,15)16/h3,5-6,8,10H,2,4,7H2,1H3,(H2,17,18)
InChIKeyQJRHWCVDVFQEMU-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.03
Rot. Bonds6

About 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide

2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide (PubChem CID 66848411) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
PubChem CID66848411
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
SMILESCCCC(Cc1cccc(OC(F)(F)F)c1)C(N)=O
InChIInChI=1S/C13H16F3NO2/c1-2-4-10(12(17)18)7-9-5-3-6-11(8-9)19-13(14,15)16/h3,5-6,8,10H,2,4,7H2,1H3,(H2,17,18)
InChIKeyQJRHWCVDVFQEMU-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
methyl 2-(aminomethyl)-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 107104840
methyl 2-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 131841403
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
CID 22452343
2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116554707
2,6-dimethyl-5-[[3-(trifluoromethoxy)phenyl]methyl]octan-3-one
CID 162576875
2-methyl-3-[3-(trifluoromethoxy)phenyl]propanal
CID 64666640
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
The IUPAC name of 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide (CID 66848411) is 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide is CCCC(Cc1cccc(OC(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
The InChIKey is QJRHWCVDVFQEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-4-10(12(17)18)7-9-5-3-6-11(8-9)19-13(14,15)16/h3,5-6,8,10H,2,4,7H2,1H3,(H2,17,18).
What are the key properties of 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide?
2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide has a molecular weight of 275.27 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide is sourced from PubChem (CID 66848411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).