2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide

C11H18F4N2O — CID 114169878

IUPAC2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC(F)(F)C(F)F)C1N
InChIInChI=1S/C11H18F4N2O/c1-6-3-2-4-7(8(6)16)9(18)17-5-11(14,15)10(12)13/h6-8,10H,2-5,16H2,1H3,(H,17,18)
InChIKeyAJFYTKAAMDLCJG-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide

2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide (PubChem CID 114169878) has the molecular formula C11H18F4N2O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
PubChem CID114169878
Molecular FormulaC11H18F4N2O
Molecular Weight270.27 g/mol
Exact Mass270.14
IUPAC Name2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC(F)(F)C(F)F)C1N
InChIInChI=1S/C11H18F4N2O/c1-6-3-2-4-7(8(6)16)9(18)17-5-11(14,15)10(12)13/h6-8,10H,2-5,16H2,1H3,(H,17,18)
InChIKeyAJFYTKAAMDLCJG-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 62776500
2-amino-N,3-dimethylcyclohexane-1-carboxamide
CID 62776522
3-amino-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
CID 106291669
2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106294840
cis-(1R,2S)-4-ethyl-2-(2,2,3,3-tetrafluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106290416
2-amino-N-(3-ethylpentan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 63841135
2-amino-3-methyl-N-(2-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 62783421
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylcyclohexane-1-carboxamide
CID 106241354
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
2-amino-N-(4-methoxybutan-2-yl)-3-methylcyclohexane-1-carboxamide
CID 64603719
2-amino-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79071178

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide (CID 114169878) is 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide is CC1CCCC(C(=O)NCC(F)(F)C(F)F)C1N.
What is the InChIKey of 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is AJFYTKAAMDLCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4N2O/c1-6-3-2-4-7(8(6)16)9(18)17-5-11(14,15)10(12)13/h6-8,10H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114169878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).