N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide

C11H16F3NO — CID 91750793

IUPACN-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H]1CC1C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,15,16)/t8?,9-/m1/s1
InChIKeyGWKJJVWIGCVWRG-YGPZHTELSA-N
MW235.25 g/mol
LogP2.63
Rot. Bonds2

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

N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide (PubChem CID 91750793) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide
PubChem CID91750793
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide
SMILESO=C(N[C@@H]1CC1C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,15,16)/t8?,9-/m1/s1
InChIKeyGWKJJVWIGCVWRG-YGPZHTELSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide (CID 91750793) is N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide is O=C(N[C@@H]1CC1C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide?
The InChIKey is GWKJJVWIGCVWRG-YGPZHTELSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)10(16)15-9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide?
N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide has a molecular weight of 235.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-cyclohexylcyclopropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91750793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).