2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

C12H20FNO2 — CID 58895238

IUPAC2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCCF
InChIInChI=1S/C12H20FNO2/c1-2-3-4-5-6-7-8-10-14-12(15)16-11-9-13/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,14,15)/b4-3-,8-7+
InChIKeyFRDJLUZPDYIFIN-ODYTWBPASA-N
MW229.29 g/mol
LogP2.98
Rot. Bonds8

About 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate

2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (PubChem CID 58895238) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
PubChem CID58895238
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
SMILESCC/C=C\CC/C=C/CNC(=O)OCCF
InChIInChI=1S/C12H20FNO2/c1-2-3-4-5-6-7-8-10-14-12(15)16-11-9-13/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,14,15)/b4-3-,8-7+
InChIKeyFRDJLUZPDYIFIN-ODYTWBPASA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.98
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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Related Compounds

(3-methoxy-3-methylbutyl) N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895290
butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 154942520
N-nona-2,6-dienylacetamide
CID 73018180
N-nona-2,6-dienylcyclopropanecarboxamide
CID 68854459
2-fluoroethyl N-hexylcarbamate
CID 87287131
methyl 4-[[(2E,6Z)-nona-2,6-dienyl]carbamoyloxy]benzoate
CID 58895309
bis(hex-3-enyl) propanedioate
CID 54313444
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
2-fluoroethyl N-[2-(2-fluoroethoxycarbonylamino)-2-oxoacetyl]carbamate
CID 165344355
N-[(E)-pent-2-enyl]prop-2-enamide
CID 131241342
[(E)-hex-3-enyl] carbonochloridate
CID 13308511

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate (CID 58895238) is 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is CC/C=C\CC/C=C/CNC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
The InChIKey is FRDJLUZPDYIFIN-ODYTWBPASA-N. The full InChI is InChI=1S/C12H20FNO2/c1-2-3-4-5-6-7-8-10-14-12(15)16-11-9-13/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,14,15)/b4-3-,8-7+.
What are the key properties of 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate?
2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate has a molecular weight of 229.29 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate is sourced from PubChem (CID 58895238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).