(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide

C12H20FNO — CID 134194605

IUPAC(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
SMILESCCCNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C12H20FNO/c1-2-10-14-11(15)12(13)8-6-4-3-5-7-9-12/h6,8H,2-5,7,9-10H2,1H3,(H,14,15)/b8-6-
InChIKeyWRWOENFEDGRQJF-VURMDHGXSA-N
MW213.30 g/mol
LogP2.74
Rot. Bonds3

About (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide

(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide (PubChem CID 134194605) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide.

Molecular Properties

Compound Name(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
PubChem CID134194605
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
SMILESCCCNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C12H20FNO/c1-2-10-14-11(15)12(13)8-6-4-3-5-7-9-12/h6,8H,2-5,7,9-10H2,1H3,(H,14,15)/b8-6-
InChIKeyWRWOENFEDGRQJF-VURMDHGXSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.74
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-propylcyclooct-2-ene-1-carboxamide?
The IUPAC name of (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide (CID 134194605) is (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide.
What is the SMILES notation for (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide?
The canonical SMILES for (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide is CCCNC(=O)C1(F)/C=C\CCCCC1.
What is the InChIKey of (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide?
The InChIKey is WRWOENFEDGRQJF-VURMDHGXSA-N. The full InChI is InChI=1S/C12H20FNO/c1-2-10-14-11(15)12(13)8-6-4-3-5-7-9-12/h6,8H,2-5,7,9-10H2,1H3,(H,14,15)/b8-6-.
What are the key properties of (2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide?
(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide has a molecular weight of 213.30 g/mol, XLogP of 2.74, 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-propylcyclooct-2-ene-1-carboxamide is sourced from PubChem (CID 134194605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).