N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H20F3NO — CID 113236453

IUPACN-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC/C=C/CCNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO/c1-2-3-4-8-17-12(18)10-6-5-7-11(9-10)13(14,15)16/h2-3,10-11H,4-9H2,1H3,(H,17,18)/b3-2+
InChIKeyYXZNMLLEPRQTGQ-NSCUHMNNSA-N
MW263.30 g/mol
LogP3.44
Rot. Bonds4

About N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 113236453) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID113236453
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC/C=C/CCNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H20F3NO/c1-2-3-4-8-17-12(18)10-6-5-7-11(9-10)13(14,15)16/h2-3,10-11H,4-9H2,1H3,(H,17,18)/b3-2+
InChIKeyYXZNMLLEPRQTGQ-NSCUHMNNSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluorocyclooct-3-en-1-yl)-N-methylacetamide
CID 123628681
N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 133575565
(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
CID 134194605
(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide
CID 134194747
2-[(3Z)-2,2-difluorocyclooct-3-en-1-yl]-N-[2-(methylamino)ethyl]acetamide
CID 156282477
N-(2-aminoethyl)-2-[(3Z)-2,2-difluorocyclooct-3-en-1-yl]acetamide
CID 168141259
N-[(E)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226618
N-[(Z)-4,4,4-trifluorobut-2-enyl]cyclohexanecarboxamide
CID 169226634
N-(1,4,4-trifluorobut-2-enyl)cyclohexanecarboxamide
CID 175473621
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclohex-3-ene-1-carboxamide
CID 51080879
N-prop-2-enyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932567
N-[(E)-4-chlorobut-2-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932583

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 113236453) is N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is C/C=C/CCNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YXZNMLLEPRQTGQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-2-3-4-8-17-12(18)10-6-5-7-11(9-10)13(14,15)16/h2-3,10-11H,4-9H2,1H3,(H,17,18)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113236453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).