N-(4,4-difluoro-1-methylcyclohexyl)acetamide

C9H15F2NO — CID 89274919

IUPACN-(4,4-difluoro-1-methylcyclohexyl)acetamide
SMILESCC(=O)NC1(C)CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-7(13)12-8(2)3-5-9(10,11)6-4-8/h3-6H2,1-2H3,(H,12,13)
InChIKeyLPEKFLUJMWATND-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.09
Rot. Bonds1

About N-(4,4-difluoro-1-methylcyclohexyl)acetamide

N-(4,4-difluoro-1-methylcyclohexyl)acetamide (PubChem CID 89274919) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(4,4-difluoro-1-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4,4-difluoro-1-methylcyclohexyl)acetamide
PubChem CID89274919
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-(4,4-difluoro-1-methylcyclohexyl)acetamide
SMILESCC(=O)NC1(C)CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-7(13)12-8(2)3-5-9(10,11)6-4-8/h3-6H2,1-2H3,(H,12,13)
InChIKeyLPEKFLUJMWATND-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoro-1-methylcyclohexyl)acetamide?
The IUPAC name of N-(4,4-difluoro-1-methylcyclohexyl)acetamide (CID 89274919) is N-(4,4-difluoro-1-methylcyclohexyl)acetamide.
What is the SMILES notation for N-(4,4-difluoro-1-methylcyclohexyl)acetamide?
The canonical SMILES for N-(4,4-difluoro-1-methylcyclohexyl)acetamide is CC(=O)NC1(C)CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluoro-1-methylcyclohexyl)acetamide?
The InChIKey is LPEKFLUJMWATND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(13)12-8(2)3-5-9(10,11)6-4-8/h3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(4,4-difluoro-1-methylcyclohexyl)acetamide?
N-(4,4-difluoro-1-methylcyclohexyl)acetamide has a molecular weight of 191.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoro-1-methylcyclohexyl)acetamide is sourced from PubChem (CID 89274919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).