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

C10H17F3N2O — CID 43711813

IUPAC2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-6(14)9(16)15-8-4-2-3-7(5-8)10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyBUNFEAQDAGEBRD-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds2

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

2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 43711813) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID43711813
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-6(14)9(16)15-8-4-2-3-7(5-8)10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyBUNFEAQDAGEBRD-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
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]propanamide?
The IUPAC name of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 43711813) is 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide is CC(N)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is BUNFEAQDAGEBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6(14)9(16)15-8-4-2-3-7(5-8)10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 238.25 g/mol, XLogP of 1.57, 2 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]propanamide is sourced from PubChem (CID 43711813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).