1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene

C14H19F — CID 51353770

IUPAC1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene
SMILESC=C[C@H](CCCCC)c1ccc(F)cc1
InChIInChI=1S/C14H19F/c1-3-5-6-7-12(4-2)13-8-10-14(15)11-9-13/h4,8-12H,2-3,5-7H2,1H3/t12-/m1/s1
InChIKeyZZAZQOKHTJHKLN-GFCCVEGCSA-N
MW206.30 g/mol
LogP4.68
Rot. Bonds6

About 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene

1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene (PubChem CID 51353770) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene
PubChem CID51353770
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene
SMILESC=C[C@H](CCCCC)c1ccc(F)cc1
InChIInChI=1S/C14H19F/c1-3-5-6-7-12(4-2)13-8-10-14(15)11-9-13/h4,8-12H,2-3,5-7H2,1H3/t12-/m1/s1
InChIKeyZZAZQOKHTJHKLN-GFCCVEGCSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene?
The IUPAC name of 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene (CID 51353770) is 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene is C=C[C@H](CCCCC)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene?
The InChIKey is ZZAZQOKHTJHKLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19F/c1-3-5-6-7-12(4-2)13-8-10-14(15)11-9-13/h4,8-12H,2-3,5-7H2,1H3/t12-/m1/s1.
What are the key properties of 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene?
1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene has a molecular weight of 206.30 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(3S)-oct-1-en-3-yl]benzene is sourced from PubChem (CID 51353770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).