1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride

C11H20ClF3N2O — CID 119322435

IUPAC1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O.ClH/c12-11(13,14)7-4-8-16-9(17)10(15)5-2-1-3-6-10;/h1-8,15H2,(H,16,17);1H
InChIKeyQXOXCVOWJJSAKT-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.53
Rot. Bonds4

About 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119322435) has the molecular formula C11H20ClF3N2O and a molecular weight of 288.74 g/mol. Its IUPAC name is 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119322435
Molecular FormulaC11H20ClF3N2O
Molecular Weight288.74 g/mol
Exact Mass288.12
IUPAC Name1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O.ClH/c12-11(13,14)7-4-8-16-9(17)10(15)5-2-1-3-6-10;/h1-8,15H2,(H,16,17);1H
InChIKeyQXOXCVOWJJSAKT-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride (CID 119322435) is 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is QXOXCVOWJJSAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O.ClH/c12-11(13,14)7-4-8-16-9(17)10(15)5-2-1-3-6-10;/h1-8,15H2,(H,16,17);1H.
What are the key properties of 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119322435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).