[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone

C16H20F3NO — CID 79062257

IUPAC[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN(C)C1(C(=O)c2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C16H20F3NO/c1-20(2)15(10-6-3-7-11-15)14(21)12-8-4-5-9-13(12)16(17,18)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyOYAYEWCJVUJPLB-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.15
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone

[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 79062257) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID79062257
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN(C)C1(C(=O)c2ccccc2C(F)(F)F)CCCCC1
InChIInChI=1S/C16H20F3NO/c1-20(2)15(10-6-3-7-11-15)14(21)12-8-4-5-9-13(12)16(17,18)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyOYAYEWCJVUJPLB-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
(1-ethoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116747862
[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288197
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066637
(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074262
2-(1-aminocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116578791
[1-(dimethylamino)cyclopentyl]-(1-methylindol-3-yl)methanone
CID 14069774
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone (CID 79062257) is [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone is CN(C)C1(C(=O)c2ccccc2C(F)(F)F)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is OYAYEWCJVUJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-20(2)15(10-6-3-7-11-15)14(21)12-8-4-5-9-13(12)16(17,18)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone?
[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 299.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 79062257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).