N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide

C10H14F3NO — CID 126786058

IUPACN-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C(=O)NC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(10(11,12)13)9(15)14-8-5-3-2-4-6-8/h2-3,7-8H,4-6H2,1H3,(H,14,15)
InChIKeyLAIBLDWERGDKBW-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.41
Rot. Bonds2

About N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide

N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 126786058) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
PubChem CID126786058
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C(=O)NC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(10(11,12)13)9(15)14-8-5-3-2-4-6-8/h2-3,7-8H,4-6H2,1H3,(H,14,15)
InChIKeyLAIBLDWERGDKBW-UHFFFAOYSA-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-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide (CID 126786058) is N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide is CC(C(=O)NC1CC=CCC1)C(F)(F)F.
What is the InChIKey of N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is LAIBLDWERGDKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(10(11,12)13)9(15)14-8-5-3-2-4-6-8/h2-3,7-8H,4-6H2,1H3,(H,14,15).
What are the key properties of N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide?
N-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide 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-cyclohex-3-en-1-yl-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 126786058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).