1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

C11H16F3NO3 — CID 64753895

IUPAC1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)C1(C(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-7(16)15(2)10(9(17)18)5-3-8(4-6-10)11(12,13)14/h8H,3-6H2,1-2H3,(H,17,18)
InChIKeyNXDHNNREWAGJSJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds2

About 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 64753895) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID64753895
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCC(=O)N(C)C1(C(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO3/c1-7(16)15(2)10(9(17)18)5-3-8(4-6-10)11(12,13)14/h8H,3-6H2,1-2H3,(H,17,18)
InChIKeyNXDHNNREWAGJSJ-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 64753895) is 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is CC(=O)N(C)C1(C(=O)O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is NXDHNNREWAGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7(16)15(2)10(9(17)18)5-3-8(4-6-10)11(12,13)14/h8H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64753895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).