2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C11H19F3N2O — CID 43711822

IUPAC2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCCC(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-2-9(15)10(17)16-8-5-3-4-7(6-8)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyDQJXFAQXOMUPPP-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide

2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 43711822) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID43711822
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCCC(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-2-9(15)10(17)16-8-5-3-4-7(6-8)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyDQJXFAQXOMUPPP-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 43711822) is 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide is CCC(N)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is DQJXFAQXOMUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-9(15)10(17)16-8-5-3-4-7(6-8)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 43711822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).