1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene

C14H19FO — CID 58566328

IUPAC1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene
SMILESC=C(CCC)C(CC)Oc1ccc(F)cc1
InChIInChI=1S/C14H19FO/c1-4-6-11(3)14(5-2)16-13-9-7-12(15)8-10-13/h7-10,14H,3-6H2,1-2H3
InChIKeyKLBUSLCITARPLS-UHFFFAOYSA-N
MW222.30 g/mol
LogP4.34
Rot. Bonds6

About 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene

1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene (PubChem CID 58566328) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene
PubChem CID58566328
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene
SMILESC=C(CCC)C(CC)Oc1ccc(F)cc1
InChIInChI=1S/C14H19FO/c1-4-6-11(3)14(5-2)16-13-9-7-12(15)8-10-13/h7-10,14H,3-6H2,1-2H3
InChIKeyKLBUSLCITARPLS-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
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 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene?
The IUPAC name of 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene (CID 58566328) is 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene.
What is the SMILES notation for 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene?
The canonical SMILES for 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene is C=C(CCC)C(CC)Oc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene?
The InChIKey is KLBUSLCITARPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-4-6-11(3)14(5-2)16-13-9-7-12(15)8-10-13/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene?
1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene has a molecular weight of 222.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene is sourced from PubChem (CID 58566328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).