cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide

C13H21F3N2O2 — CID 89053077

IUPACcis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide
SMILESNC(=O)[C@H]1CCCCCCCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)18-10-8-6-4-2-1-3-5-7-9(10)11(17)19/h9-10H,1-8H2,(H2,17,19)(H,18,20)/t9-,10+/m0/s1
InChIKeySOQPDDZMHFZLIV-VHSXEESVSA-N
MW294.32 g/mol
LogP2.27
Rot. Bonds2

About cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide

cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide (PubChem CID 89053077) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide
PubChem CID89053077
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Namecis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide
SMILESNC(=O)[C@H]1CCCCCCCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)18-10-8-6-4-2-1-3-5-7-9(10)11(17)19/h9-10H,1-8H2,(H2,17,19)(H,18,20)/t9-,10+/m0/s1
InChIKeySOQPDDZMHFZLIV-VHSXEESVSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.27
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-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide (CID 89053077) is cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide is NC(=O)[C@H]1CCCCCCCC[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide?
The InChIKey is SOQPDDZMHFZLIV-VHSXEESVSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)18-10-8-6-4-2-1-3-5-7-9(10)11(17)19/h9-10H,1-8H2,(H2,17,19)(H,18,20)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide?
cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 2.27, 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-[(2,2,2-trifluoroacetyl)amino]cyclodecane-1-carboxamide is sourced from PubChem (CID 89053077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).