(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone

C14H16F3NO2 — CID 116579967

IUPAC(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNC1CCCCC1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)18/h3-5,8,11-12H,1-2,6-7,18H2
InChIKeyWLULWFLKHDQFBI-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.29
Rot. Bonds3

About (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone

(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 116579967) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID116579967
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNC1CCCCC1C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)18/h3-5,8,11-12H,1-2,6-7,18H2
InChIKeyWLULWFLKHDQFBI-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356
3-[3-(trifluoromethoxy)benzoyl]cyclohexan-1-one
CID 107104941
2-cyclohexyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971407
(2-aminocyclopentyl)-(3-bromophenyl)methanone
CID 164657811
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
(1-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 106829575
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 116579967) is (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone is NC1CCCCC1C(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is WLULWFLKHDQFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)20-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)18/h3-5,8,11-12H,1-2,6-7,18H2.
What are the key properties of (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone?
(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 287.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116579967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).