4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C9H15F3N2O — CID 60848275

IUPAC4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-14-8(15)6-1-3-7(13)4-2-6/h6-7H,1-5,13H2,(H,14,15)
InChIKeyRLWCKRDWDMZEQL-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.18
Rot. Bonds2

About 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 60848275) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID60848275
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-14-8(15)6-1-3-7(13)4-2-6/h6-7H,1-5,13H2,(H,14,15)
InChIKeyRLWCKRDWDMZEQL-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 60848275) is 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is NC1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is RLWCKRDWDMZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)5-14-8(15)6-1-3-7(13)4-2-6/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60848275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).