[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone

C17H24FNO — CID 106880858

IUPAC[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(N(C)C)CCCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-12-10-13(2)15(14(18)11-12)16(20)17(19(3)4)8-6-5-7-9-17/h10-11H,5-9H2,1-4H3
InChIKeyUTQGLMQONRWDTC-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.89
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone

[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106880858) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106880858
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(N(C)C)CCCCC2)c(F)c1
InChIInChI=1S/C17H24FNO/c1-12-10-13(2)15(14(18)11-12)16(20)17(19(3)4)8-6-5-7-9-17/h10-11H,5-9H2,1-4H3
InChIKeyUTQGLMQONRWDTC-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106880858) is [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2(N(C)C)CCCCC2)c(F)c1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is UTQGLMQONRWDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-10-13(2)15(14(18)11-12)16(20)17(19(3)4)8-6-5-7-9-17/h10-11H,5-9H2,1-4H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone?
[1-(dimethylamino)cyclohexyl]-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 277.38 g/mol, XLogP of 3.89, 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-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106880858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).