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

C10H17F3N2O — CID 62781998

IUPAC2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC(F)(F)F)C1N
InChIInChI=1S/C10H17F3N2O/c1-6-3-2-4-7(8(6)14)9(16)15-5-10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyYNKXMZGDTBECKJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.43
Rot. Bonds2

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

2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62781998) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62781998
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCC(F)(F)F)C1N
InChIInChI=1S/C10H17F3N2O/c1-6-3-2-4-7(8(6)14)9(16)15-5-10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyYNKXMZGDTBECKJ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62781998) is 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CCCC(C(=O)NCC(F)(F)F)C1N.
What is the InChIKey of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is YNKXMZGDTBECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6-3-2-4-7(8(6)14)9(16)15-5-10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
2-amino-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.43, 2 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-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).