2-fluoroethyl N-nonadec-12-en-6-ylcarbamate

C22H42FNO2 — CID 173054480

IUPAC2-fluoroethyl N-nonadec-12-en-6-ylcarbamate
SMILESCCCCCCC=CCCCCCC(CCCCC)NC(=O)OCCF
InChIInChI=1S/C22H42FNO2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(17-15-6-4-2)24-22(25)26-20-19-23/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)
InChIKeyNQXGKWYCSGDKSY-UHFFFAOYSA-N
MW371.58 g/mol
LogP7.11
Rot. Bonds18

About 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate

2-fluoroethyl N-nonadec-12-en-6-ylcarbamate (PubChem CID 173054480) has the molecular formula C22H42FNO2 and a molecular weight of 371.58 g/mol. Its IUPAC name is 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-nonadec-12-en-6-ylcarbamate
PubChem CID173054480
Molecular FormulaC22H42FNO2
Molecular Weight371.58 g/mol
Exact Mass371.32
IUPAC Name2-fluoroethyl N-nonadec-12-en-6-ylcarbamate
SMILESCCCCCCC=CCCCCCC(CCCCC)NC(=O)OCCF
InChIInChI=1S/C22H42FNO2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(17-15-6-4-2)24-22(25)26-20-19-23/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)
InChIKeyNQXGKWYCSGDKSY-UHFFFAOYSA-N
XLogP7.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.58
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate?
The IUPAC name of 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate (CID 173054480) is 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate?
The canonical SMILES for 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate is CCCCCCC=CCCCCCC(CCCCC)NC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate?
The InChIKey is NQXGKWYCSGDKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42FNO2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(17-15-6-4-2)24-22(25)26-20-19-23/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25).
What are the key properties of 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate?
2-fluoroethyl N-nonadec-12-en-6-ylcarbamate has a molecular weight of 371.58 g/mol, XLogP of 7.11, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-nonadec-12-en-6-ylcarbamate is sourced from PubChem (CID 173054480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).