[(1S)-1-fluoropent-4-enyl]benzene

C11H13F — CID 69121356

IUPAC[(1S)-1-fluoropent-4-enyl]benzene
SMILESC=CCC[C@H](F)c1ccccc1
InChIInChI=1S/C11H13F/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2/t11-/m0/s1
InChIKeyVJHWNSQQELJEIH-NSHDSACASA-N
MW164.22 g/mol
LogP3.66
Rot. Bonds4

About [(1S)-1-fluoropent-4-enyl]benzene

[(1S)-1-fluoropent-4-enyl]benzene (PubChem CID 69121356) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is [(1S)-1-fluoropent-4-enyl]benzene.

Molecular Properties

Compound Name[(1S)-1-fluoropent-4-enyl]benzene
PubChem CID69121356
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name[(1S)-1-fluoropent-4-enyl]benzene
SMILESC=CCC[C@H](F)c1ccccc1
InChIInChI=1S/C11H13F/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2/t11-/m0/s1
InChIKeyVJHWNSQQELJEIH-NSHDSACASA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(1-fluoropent-4-enyl)benzene
CID 68649088
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015
(2S)-2-phenylhex-5-enoic acid
CID 92982258
(3S,4S)-3-phenylocta-1,7-dien-4-ol
CID 101442843
4-fluoro-4-phenylbutan-1-ol
CID 57250871
1-bromohex-5-enylbenzene
CID 13296849
6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine
CID 133394883
undec-10-en-2-ylbenzene
CID 140694797
tridec-12-en-2-ylbenzene
CID 140694820
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
N-ethenyl-1-phenylhex-5-en-1-amine
CID 143899130

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-fluoropent-4-enyl]benzene?
The IUPAC name of [(1S)-1-fluoropent-4-enyl]benzene (CID 69121356) is [(1S)-1-fluoropent-4-enyl]benzene.
What is the SMILES notation for [(1S)-1-fluoropent-4-enyl]benzene?
The canonical SMILES for [(1S)-1-fluoropent-4-enyl]benzene is C=CCC[C@H](F)c1ccccc1.
What is the InChIKey of [(1S)-1-fluoropent-4-enyl]benzene?
The InChIKey is VJHWNSQQELJEIH-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2,4-8,11H,1,3,9H2/t11-/m0/s1.
What are the key properties of [(1S)-1-fluoropent-4-enyl]benzene?
[(1S)-1-fluoropent-4-enyl]benzene has a molecular weight of 164.22 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-fluoropent-4-enyl]benzene is sourced from PubChem (CID 69121356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).