N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide

C11H18F3NO — CID 58923205

IUPACN-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@H](CC1CCCCC1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-8(15-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyVMXHXPUHSWUSFX-MRVPVSSYSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds3

About N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide

N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 58923205) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID58923205
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@H](CC1CCCCC1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-8(15-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyVMXHXPUHSWUSFX-MRVPVSSYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide (CID 58923205) is N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide is C[C@H](CC1CCCCC1)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VMXHXPUHSWUSFX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8(15-10(16)11(12,13)14)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 237.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyclohexylpropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58923205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).