hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate

C18H26FNO2 — CID 162387549

IUPAChexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate
SMILESCCCCCCOC(=O)NC/C(F)=C\CCc1ccccc1
InChIInChI=1S/C18H26FNO2/c1-2-3-4-8-14-22-18(21)20-15-17(19)13-9-12-16-10-6-5-7-11-16/h5-7,10-11,13H,2-4,8-9,12,14-15H2,1H3,(H,20,21)/b17-13+
InChIKeyMJJJJJGLLMFMHG-GHRIWEEISA-N
MW307.41 g/mol
LogP4.78
Rot. Bonds10

About hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate

hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate (PubChem CID 162387549) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate.

Molecular Properties

Compound Namehexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate
PubChem CID162387549
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Namehexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate
SMILESCCCCCCOC(=O)NC/C(F)=C\CCc1ccccc1
InChIInChI=1S/C18H26FNO2/c1-2-3-4-8-14-22-18(21)20-15-17(19)13-9-12-16-10-6-5-7-11-16/h5-7,10-11,13H,2-4,8-9,12,14-15H2,1H3,(H,20,21)/b17-13+
InChIKeyMJJJJJGLLMFMHG-GHRIWEEISA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate?
The IUPAC name of hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate (CID 162387549) is hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate.
What is the SMILES notation for hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate?
The canonical SMILES for hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate is CCCCCCOC(=O)NC/C(F)=C\CCc1ccccc1.
What is the InChIKey of hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate?
The InChIKey is MJJJJJGLLMFMHG-GHRIWEEISA-N. The full InChI is InChI=1S/C18H26FNO2/c1-2-3-4-8-14-22-18(21)20-15-17(19)13-9-12-16-10-6-5-7-11-16/h5-7,10-11,13H,2-4,8-9,12,14-15H2,1H3,(H,20,21)/b17-13+.
What are the key properties of hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate?
hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate has a molecular weight of 307.41 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-[(E)-2-fluoro-5-phenylpent-2-enyl]carbamate is sourced from PubChem (CID 162387549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).