cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C9H15F3N2O — CID 89486996

IUPACcis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h6-7H,1-5,13H2,(H,14,15)/t6-,7+/m0/s1
InChIKeyRSTRRCRUQRIODD-NKWVEPMBSA-N
MW224.23 g/mol
LogP1.18
Rot. Bonds2

About cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 89486996) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID89486996
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Namecis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN[C@@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h6-7H,1-5,13H2,(H,14,15)/t6-,7+/m0/s1
InChIKeyRSTRRCRUQRIODD-NKWVEPMBSA-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 cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 89486996) is cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is N[C@@H]1CCCC[C@@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is RSTRRCRUQRIODD-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h6-7H,1-5,13H2,(H,14,15)/t6-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-2-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 cis-(1S,2R)-2-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 89486996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).