(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide

C13H22FNO — CID 134194747

IUPAC(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide
SMILESCC(C)CNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C13H22FNO/c1-11(2)10-15-12(16)13(14)8-6-4-3-5-7-9-13/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,15,16)/b8-6-
InChIKeyNOXSTVZTXJTTLN-VURMDHGXSA-N
MW227.32 g/mol
LogP2.99
Rot. Bonds3

About (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide

(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide (PubChem CID 134194747) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide.

Molecular Properties

Compound Name(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide
PubChem CID134194747
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide
SMILESCC(C)CNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C13H22FNO/c1-11(2)10-15-12(16)13(14)8-6-4-3-5-7-9-13/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,15,16)/b8-6-
InChIKeyNOXSTVZTXJTTLN-VURMDHGXSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide?
The IUPAC name of (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide (CID 134194747) is (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide.
What is the SMILES notation for (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide?
The canonical SMILES for (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide is CC(C)CNC(=O)C1(F)/C=C\CCCCC1.
What is the InChIKey of (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide?
The InChIKey is NOXSTVZTXJTTLN-VURMDHGXSA-N. The full InChI is InChI=1S/C13H22FNO/c1-11(2)10-15-12(16)13(14)8-6-4-3-5-7-9-13/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,15,16)/b8-6-.
What are the key properties of (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide?
(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide has a molecular weight of 227.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide is sourced from PubChem (CID 134194747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).