4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide

C12H21F3N2O — CID 79120537

IUPAC4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide
SMILESCNC1CCC(N(C)C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-9-3-5-10(6-4-9)17(2)11(18)7-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyKJDDGSUGNUDNAK-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.32
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide

4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide (PubChem CID 79120537) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide
PubChem CID79120537
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide
SMILESCNC1CCC(N(C)C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-9-3-5-10(6-4-9)17(2)11(18)7-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyKJDDGSUGNUDNAK-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide (CID 79120537) is 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide is CNC1CCC(N(C)C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide?
The InChIKey is KJDDGSUGNUDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-16-9-3-5-10(6-4-9)17(2)11(18)7-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide?
4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide has a molecular weight of 266.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-N-[4-(methylamino)cyclohexyl]butanamide is sourced from PubChem (CID 79120537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).