N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide

C11H16F3NO — CID 169226618

IUPACN-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
SMILESO=C(NC/C=C/C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)7-4-8-15-10(16)9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,15,16)/b7-4+
InChIKeyLRUCJPGPQNKOSS-QPJJXVBHSA-N
MW235.25 g/mol
LogP2.80
Rot. Bonds3

About N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide

N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide (PubChem CID 169226618) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
PubChem CID169226618
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
SMILESO=C(NC/C=C/C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H16F3NO/c12-11(13,14)7-4-8-15-10(16)9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,15,16)/b7-4+
InChIKeyLRUCJPGPQNKOSS-QPJJXVBHSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diallyl-1,4-cyclohexanedicarboxamide
CID 2234553
2-cyclohexyl-N-prop-2-enylacetamide
CID 4254190
N-[(E)-4,4,4-trifluorobut-2-enyl]octanamide
CID 71534603
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
4-methylidene-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 91223950
N-[(Z)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226634
N-butyl-3,3-difluorocyclohexane-1-carboxamide
CID 170709230
N-(1,4,4-trifluorobut-2-enyl)cyclohexanecarboxamide
CID 175473621
N-[(E)-but-2-enyl]-6,6-difluorospiro[2.5]octane-2-carboxamide
CID 178011082
N-[(E)-but-2-enyl]-3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
CID 178011158
Cyclohexanecarboxamide, N-allyl-
CID 5019203

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide (CID 169226618) is N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide is O=C(NC/C=C/C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide?
The InChIKey is LRUCJPGPQNKOSS-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)7-4-8-15-10(16)9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,15,16)/b7-4+.
What are the key properties of N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide?
N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide has a molecular weight of 235.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide is sourced from PubChem (CID 169226618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).