fluorobenzene;prop-1-ene

C9H11F — CID 18357463

IUPACfluorobenzene;prop-1-ene
SMILESC=CC.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H6/c7-6-4-2-1-3-5-6;1-3-2/h1-5H;3H,1H2,2H3
InChIKeyKXVBXBUEDPYEDY-UHFFFAOYSA-N
MW138.18 g/mol
LogP3.02
Rot. Bonds

About fluorobenzene;prop-1-ene

fluorobenzene;prop-1-ene (PubChem CID 18357463) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is fluorobenzene;prop-1-ene.

Molecular Properties

Compound Namefluorobenzene;prop-1-ene
PubChem CID18357463
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Namefluorobenzene;prop-1-ene
SMILESC=CC.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H6/c7-6-4-2-1-3-5-6;1-3-2/h1-5H;3H,1H2,2H3
InChIKeyKXVBXBUEDPYEDY-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 fluorobenzene;prop-1-ene?
The IUPAC name of fluorobenzene;prop-1-ene (CID 18357463) is fluorobenzene;prop-1-ene.
What is the SMILES notation for fluorobenzene;prop-1-ene?
The canonical SMILES for fluorobenzene;prop-1-ene is C=CC.Fc1ccccc1.
What is the InChIKey of fluorobenzene;prop-1-ene?
The InChIKey is KXVBXBUEDPYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C3H6/c7-6-4-2-1-3-5-6;1-3-2/h1-5H;3H,1H2,2H3.
What are the key properties of fluorobenzene;prop-1-ene?
fluorobenzene;prop-1-ene has a molecular weight of 138.18 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;prop-1-ene is sourced from PubChem (CID 18357463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).