(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide

C10H13F3N2O2 — CID 89423528

IUPAC(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide
SMILESNC(=O)C1=CC[C@H](CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-5-6-1-3-7(4-2-6)8(14)16/h3,6H,1-2,4-5H2,(H2,14,16)(H,15,17)/t6-/m0/s1
InChIKeyCLIDZYNHVCBKGR-LURJTMIESA-N
MW250.22 g/mol
LogP0.88
Rot. Bonds3

About (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide

(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide (PubChem CID 89423528) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide
PubChem CID89423528
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide
SMILESNC(=O)C1=CC[C@H](CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-5-6-1-3-7(4-2-6)8(14)16/h3,6H,1-2,4-5H2,(H2,14,16)(H,15,17)/t6-/m0/s1
InChIKeyCLIDZYNHVCBKGR-LURJTMIESA-N
XLogP0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide?
The IUPAC name of (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide (CID 89423528) is (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide?
The canonical SMILES for (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide is NC(=O)C1=CC[C@H](CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide?
The InChIKey is CLIDZYNHVCBKGR-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)15-5-6-1-3-7(4-2-6)8(14)16/h3,6H,1-2,4-5H2,(H2,14,16)(H,15,17)/t6-/m0/s1.
What are the key properties of (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide?
(4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 89423528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).