4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide

C14H21F3N2O — CID 70974417

IUPAC4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide
SMILESCC[C@@H](/C=C\CNC(=O)C1CC=C(N)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-2-11(14(15,16)17)4-3-9-19-13(20)10-5-7-12(18)8-6-10/h3-4,7,10-11H,2,5-6,8-9,18H2,1H3,(H,19,20)/b4-3-/t10?,11-/m0/s1
InChIKeyIRZXKTUXOLYCOW-UEKJJVEBSA-N
MW290.33 g/mol
LogP2.89
Rot. Bonds5

About 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide

4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide (PubChem CID 70974417) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide
PubChem CID70974417
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide
SMILESCC[C@@H](/C=C\CNC(=O)C1CC=C(N)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-2-11(14(15,16)17)4-3-9-19-13(20)10-5-7-12(18)8-6-10/h3-4,7,10-11H,2,5-6,8-9,18H2,1H3,(H,19,20)/b4-3-/t10?,11-/m0/s1
InChIKeyIRZXKTUXOLYCOW-UEKJJVEBSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide (CID 70974417) is 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide is CC[C@@H](/C=C\CNC(=O)C1CC=C(N)CC1)C(F)(F)F.
What is the InChIKey of 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is IRZXKTUXOLYCOW-UEKJJVEBSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-11(14(15,16)17)4-3-9-19-13(20)10-5-7-12(18)8-6-10/h3-4,7,10-11H,2,5-6,8-9,18H2,1H3,(H,19,20)/b4-3-/t10?,11-/m0/s1.
What are the key properties of 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide?
4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z,4S)-4-(trifluoromethyl)hex-2-enyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 70974417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).