N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide

C10H14F3NO — CID 118374455

IUPACN-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
SMILESC=C[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-2-7-5-3-4-6-8(7)14-9(15)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)/t7-,8-/m0/s1
InChIKeyKRSYPPUCKJNRQS-YUMQZZPRSA-N
MW221.22 g/mol
LogP2.41
Rot. Bonds2

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

N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 118374455) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID118374455
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
SMILESC=C[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-2-7-5-3-4-6-8(7)14-9(15)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)/t7-,8-/m0/s1
InChIKeyKRSYPPUCKJNRQS-YUMQZZPRSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide (CID 118374455) is N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide is C=C[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)F.
What is the InChIKey of N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is KRSYPPUCKJNRQS-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-7-5-3-4-6-8(7)14-9(15)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide?
N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 221.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118374455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).