2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one

C12H14F3NO2 — CID 116554707

IUPAC2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
SMILESCCCC(N)C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-2-4-10(16)11(17)8-5-3-6-9(7-8)18-12(13,14)15/h3,5-7,10H,2,4,16H2,1H3
InChIKeyUKOBAYXATDLOMM-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one

2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one (PubChem CID 116554707) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
PubChem CID116554707
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
SMILESCCCC(N)C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-2-4-10(16)11(17)8-5-3-6-9(7-8)18-12(13,14)15/h3,5-7,10H,2,4,16H2,1H3
InChIKeyUKOBAYXATDLOMM-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-ethoxyphenyl)pentan-1-one
CID 116554755
2-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116552839
2-chloro-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 146008195
3-ethyl-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 103458432
3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 114971379
2-(aminomethyl)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116598012
3-amino-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116606380
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
2-(4-fluoroanilino)-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 138627399
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
2-[[3-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 66848411

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one?
The IUPAC name of 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one (CID 116554707) is 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one?
The canonical SMILES for 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one is CCCC(N)C(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one?
The InChIKey is UKOBAYXATDLOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-4-10(16)11(17)8-5-3-6-9(7-8)18-12(13,14)15/h3,5-7,10H,2,4,16H2,1H3.
What are the key properties of 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one?
2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one has a molecular weight of 261.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one is sourced from PubChem (CID 116554707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).