5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

C13H23F3N2O — CID 54892967

IUPAC5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NCC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C13H23F3N2O/c1-8(2)10-5-4-9(3)6-12(10,11(17)19)18-7-13(14,15)16/h8-10,18H,4-7H2,1-3H3,(H2,17,19)
InChIKeyWWYWTJQTYJIMAQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.45
Rot. Bonds4

About 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (PubChem CID 54892967) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
PubChem CID54892967
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NCC(F)(F)F)(C(N)=O)C1
InChIInChI=1S/C13H23F3N2O/c1-8(2)10-5-4-9(3)6-12(10,11(17)19)18-7-13(14,15)16/h8-10,18H,4-7H2,1-3H3,(H2,17,19)
InChIKeyWWYWTJQTYJIMAQ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (CID 54892967) is 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is CC1CCC(C(C)C)C(NCC(F)(F)F)(C(N)=O)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The InChIKey is WWYWTJQTYJIMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-8(2)10-5-4-9(3)6-12(10,11(17)19)18-7-13(14,15)16/h8-10,18H,4-7H2,1-3H3,(H2,17,19).
What are the key properties of 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 54892967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).