2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate

C10H16FNO2 — CID 143184533

IUPAC2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate
SMILESC/C=C(C)\C=C/CNC(=O)OCCF
InChIInChI=1S/C10H16FNO2/c1-3-9(2)5-4-7-12-10(13)14-8-6-11/h3-5H,6-8H2,1-2H3,(H,12,13)/b5-4-,9-3-
InChIKeyQYZDZZMHTUMHKY-RYDLNONPSA-N
MW201.24 g/mol
LogP2.20
Rot. Bonds5

About 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate

2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate (PubChem CID 143184533) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate
PubChem CID143184533
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate
SMILESC/C=C(C)\C=C/CNC(=O)OCCF
InChIInChI=1S/C10H16FNO2/c1-3-9(2)5-4-7-12-10(13)14-8-6-11/h3-5H,6-8H2,1-2H3,(H,12,13)/b5-4-,9-3-
InChIKeyQYZDZZMHTUMHKY-RYDLNONPSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate (CID 143184533) is 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate is C/C=C(C)\C=C/CNC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate?
The InChIKey is QYZDZZMHTUMHKY-RYDLNONPSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-3-9(2)5-4-7-12-10(13)14-8-6-11/h3-5H,6-8H2,1-2H3,(H,12,13)/b5-4-,9-3-.
What are the key properties of 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate?
2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate has a molecular weight of 201.24 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]carbamate is sourced from PubChem (CID 143184533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).