2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate

C22H36FNO2 — CID 10570871

IUPAC2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCCF
InChIInChI=1S/C22H36FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(25)26-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKeyDXPTYLHBGODTLP-DOFZRALJSA-N
MW365.53 g/mol
LogP6.44
Rot. Bonds16

About 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate

2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate (PubChem CID 10570871) has the molecular formula C22H36FNO2 and a molecular weight of 365.53 g/mol. Its IUPAC name is 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
PubChem CID10570871
Molecular FormulaC22H36FNO2
Molecular Weight365.53 g/mol
Exact Mass365.27
IUPAC Name2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCCF
InChIInChI=1S/C22H36FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(25)26-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
InChIKeyDXPTYLHBGODTLP-DOFZRALJSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.53
LogP ≤ 56.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate (CID 10570871) is 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
The InChIKey is DXPTYLHBGODTLP-DOFZRALJSA-N. The full InChI is InChI=1S/C22H36FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(25)26-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate?
2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate has a molecular weight of 365.53 g/mol, XLogP of 6.44, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]carbamate is sourced from PubChem (CID 10570871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).