2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide

C11H18F3NO — CID 129206853

IUPAC2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
SMILESCCCCC(C)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-3-4-5-8(2)9(16)15-10(6-7-10)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyKESHHQIWMVWKJH-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide

2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide (PubChem CID 129206853) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
PubChem CID129206853
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
SMILESCCCCC(C)C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-3-4-5-8(2)9(16)15-10(6-7-10)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyKESHHQIWMVWKJH-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
The IUPAC name of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide (CID 129206853) is 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide.
What is the SMILES notation for 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
The canonical SMILES for 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide is CCCCC(C)C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
The InChIKey is KESHHQIWMVWKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-3-4-5-8(2)9(16)15-10(6-7-10)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide?
2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide has a molecular weight of 237.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide is sourced from PubChem (CID 129206853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).