(4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne

C14H21F — CID 164875891

IUPAC(4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne
SMILESCC(C)C1(C)CCCC#CC/C(=C\F)C1
InChIInChI=1S/C14H21F/c1-12(2)14(3)9-7-5-4-6-8-13(10-14)11-15/h11-12H,5,7-10H2,1-3H3/b13-11+
InChIKeyHYYUPSKBOKSVMR-ACCUITESSA-N
MW208.32 g/mol
LogP4.47
Rot. Bonds1

About (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne

(4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne (PubChem CID 164875891) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne.

Molecular Properties

Compound Name(4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne
PubChem CID164875891
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name(4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne
SMILESCC(C)C1(C)CCCC#CC/C(=C\F)C1
InChIInChI=1S/C14H21F/c1-12(2)14(3)9-7-5-4-6-8-13(10-14)11-15/h11-12H,5,7-10H2,1-3H3/b13-11+
InChIKeyHYYUPSKBOKSVMR-ACCUITESSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne?
The IUPAC name of (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne (CID 164875891) is (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne.
What is the SMILES notation for (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne?
The canonical SMILES for (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne is CC(C)C1(C)CCCC#CC/C(=C\F)C1.
What is the InChIKey of (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne?
The InChIKey is HYYUPSKBOKSVMR-ACCUITESSA-N. The full InChI is InChI=1S/C14H21F/c1-12(2)14(3)9-7-5-4-6-8-13(10-14)11-15/h11-12H,5,7-10H2,1-3H3/b13-11+.
What are the key properties of (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne?
(4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne has a molecular weight of 208.32 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(fluoromethylidene)-6-methyl-6-propan-2-ylcyclononyne is sourced from PubChem (CID 164875891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).