2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide

C13H22F3NO — CID 118894920

IUPAC2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCCC(C)(C)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-4-12(2,3)11(18)17-10-7-5-9(6-8-10)13(14,15)16/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyUUCUJTOTTIPLDL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.66
Rot. Bonds3

About 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide

2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 118894920) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID118894920
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCCC(C)(C)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-4-12(2,3)11(18)17-10-7-5-9(6-8-10)13(14,15)16/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyUUCUJTOTTIPLDL-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide (CID 118894920) is 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide is CCC(C)(C)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is UUCUJTOTTIPLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-4-12(2,3)11(18)17-10-7-5-9(6-8-10)13(14,15)16/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 265.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 118894920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).