1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride

C9H16ClF3N2O — CID 119291003

IUPAC1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)6-14-7(15)8(13)4-2-1-3-5-8;/h1-6,13H2,(H,14,15);1H
InChIKeyWAARTUHTCNGFNX-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.75
Rot. Bonds2

About 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119291003) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119291003
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC Name1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)6-14-7(15)8(13)4-2-1-3-5-8;/h1-6,13H2,(H,14,15);1H
InChIKeyWAARTUHTCNGFNX-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551943
1-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279337
1-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830623
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide
CID 60946592
1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 149123675
3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
1-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119272923
1-amino-N-(2,2,4-trimethylpentyl)cyclopentane-1-carboxamide;hydrochloride
CID 119344457
1-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119322718

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119291003) is 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WAARTUHTCNGFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c10-9(11,12)6-14-7(15)8(13)4-2-1-3-5-8;/h1-6,13H2,(H,14,15);1H.
What are the key properties of 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119291003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).