4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one

C11H16F3NO — CID 3319789

IUPAC4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one
SMILESCC(=CC(=O)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H16F3NO/c1-8(7-10(16)11(12,13)14)15-9-5-3-2-4-6-9/h7,9,15H,2-6H2,1H3
InChIKeyGYESAFNKQXECCC-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.94
Rot. Bonds3

About 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one

4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one (PubChem CID 3319789) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one
PubChem CID3319789
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one
SMILESCC(=CC(=O)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H16F3NO/c1-8(7-10(16)11(12,13)14)15-9-5-3-2-4-6-9/h7,9,15H,2-6H2,1H3
InChIKeyGYESAFNKQXECCC-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one?
The IUPAC name of 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one (CID 3319789) is 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one.
What is the SMILES notation for 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one?
The canonical SMILES for 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one is CC(=CC(=O)C(F)(F)F)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one?
The InChIKey is GYESAFNKQXECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8(7-10(16)11(12,13)14)15-9-5-3-2-4-6-9/h7,9,15H,2-6H2,1H3.
What are the key properties of 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one?
4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one has a molecular weight of 235.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-1,1,1-trifluoropent-3-en-2-one is sourced from PubChem (CID 3319789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).