1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone

C9H15F2NO — CID 170732787

IUPAC1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(C(C)=O)CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-7(13)8(12-2)3-5-9(10,11)6-4-8/h12H,3-6H2,1-2H3
InChIKeyMJXPLZNONUNTIL-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.74
Rot. Bonds2

About 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone

1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone (PubChem CID 170732787) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone
PubChem CID170732787
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone
SMILESCNC1(C(C)=O)CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-7(13)8(12-2)3-5-9(10,11)6-4-8/h12H,3-6H2,1-2H3
InChIKeyMJXPLZNONUNTIL-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone?
The IUPAC name of 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone (CID 170732787) is 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone.
What is the SMILES notation for 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone?
The canonical SMILES for 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone is CNC1(C(C)=O)CCC(F)(F)CC1.
What is the InChIKey of 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone?
The InChIKey is MJXPLZNONUNTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(13)8(12-2)3-5-9(10,11)6-4-8/h12H,3-6H2,1-2H3.
What are the key properties of 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone?
1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone has a molecular weight of 191.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-difluoro-1-(methylamino)cyclohexyl]ethanone is sourced from PubChem (CID 170732787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).