2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride

C11H19ClF3N3O2 — CID 119956286

IUPAC2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O2.ClH/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8(15)5-9(16)18;/h6-8H,1-5,15H2,(H2,16,18)(H,17,19);1H
InChIKeyXOFUVPNZJDFJDV-UHFFFAOYSA-N
MW317.74 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride

2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride (PubChem CID 119956286) has the molecular formula C11H19ClF3N3O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride
PubChem CID119956286
Molecular FormulaC11H19ClF3N3O2
Molecular Weight317.74 g/mol
Exact Mass317.11
IUPAC Name2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3N3O2.ClH/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8(15)5-9(16)18;/h6-8H,1-5,15H2,(H2,16,18)(H,17,19);1H
InChIKeyXOFUVPNZJDFJDV-UHFFFAOYSA-N
XLogP0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride (CID 119956286) is 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride is Cl.NC(=O)CC(N)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride?
The InChIKey is XOFUVPNZJDFJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2.ClH/c12-11(13,14)6-2-1-3-7(4-6)17-10(19)8(15)5-9(16)18;/h6-8H,1-5,15H2,(H2,16,18)(H,17,19);1H.
What are the key properties of 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride?
2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(trifluoromethyl)cyclohexyl]butanediamide;hydrochloride is sourced from PubChem (CID 119956286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).