fluorobenzene;hexane

C12H19F — CID 158112243

IUPACfluorobenzene;hexane
SMILESCCCCCC.Fc1ccccc1
InChIInChI=1S/C6H5F.C6H14/c7-6-4-2-1-3-5-6;1-3-5-6-4-2/h1-5H;3-6H2,1-2H3
InChIKeyFQOPSUYTHFVYJS-UHFFFAOYSA-N
MW182.28 g/mol
LogP4.41
Rot. Bonds3

About fluorobenzene;hexane

fluorobenzene;hexane (PubChem CID 158112243) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is fluorobenzene;hexane.

Molecular Properties

Compound Namefluorobenzene;hexane
PubChem CID158112243
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Namefluorobenzene;hexane
SMILESCCCCCC.Fc1ccccc1
InChIInChI=1S/C6H5F.C6H14/c7-6-4-2-1-3-5-6;1-3-5-6-4-2/h1-5H;3-6H2,1-2H3
InChIKeyFQOPSUYTHFVYJS-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

fluorobenzene;1-hexoxyhexane
CID 174664464
1,3-dipentylbenzene;fluorobenzene
CID 174957175
fluorobenzene;1-pentylsulfanyloxysulfanylpentane
CID 139560592
fluorobenzene;2-pentylbenzoic acid
CID 174772828
cobalt;fluorobenzene
CID 139244086
fluorobenzene;nickel
CID 175250202
1,1'-biphenyl;hexadecane
CID 173308514
CID 23535242
CID 23535242
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
1,4-difluorobenzene;heptan-1-amine
CID 143706023
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;hexane?
The IUPAC name of fluorobenzene;hexane (CID 158112243) is fluorobenzene;hexane.
What is the SMILES notation for fluorobenzene;hexane?
The canonical SMILES for fluorobenzene;hexane is CCCCCC.Fc1ccccc1.
What is the InChIKey of fluorobenzene;hexane?
The InChIKey is FQOPSUYTHFVYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C6H14/c7-6-4-2-1-3-5-6;1-3-5-6-4-2/h1-5H;3-6H2,1-2H3.
What are the key properties of fluorobenzene;hexane?
fluorobenzene;hexane has a molecular weight of 182.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;hexane is sourced from PubChem (CID 158112243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).