(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone

C12H12F3NO2 — CID 116598545

IUPAC(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNC1(C(=O)c2cccc(OC(F)(F)F)c2)CCC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)18-9-4-1-3-8(7-9)10(17)11(16)5-2-6-11/h1,3-4,7H,2,5-6,16H2
InChIKeyFNRNVCGRYXJWRJ-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.65
Rot. Bonds3

About (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone

(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 116598545) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID116598545
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNC1(C(=O)c2cccc(OC(F)(F)F)c2)CCC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)18-9-4-1-3-8(7-9)10(17)11(16)5-2-6-11/h1,3-4,7H,2,5-6,16H2
InChIKeyFNRNVCGRYXJWRJ-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminooxan-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116604699
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 106829575
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 116598545) is (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone is NC1(C(=O)c2cccc(OC(F)(F)F)c2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is FNRNVCGRYXJWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)18-9-4-1-3-8(7-9)10(17)11(16)5-2-6-11/h1,3-4,7H,2,5-6,16H2.
What are the key properties of (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone?
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 259.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116598545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).