buta-1,3-diene;fluoromethane;styrene

C13H17F — CID 174915183

IUPACbuta-1,3-diene;fluoromethane;styrene
SMILESC=CC=C.C=Cc1ccccc1.CF
InChIInChI=1S/C8H8.C4H6.CH3F/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-2/h2-7H,1H2;3-4H,1-2H2;1H3
InChIKeyCNLAXUKANLIIGK-UHFFFAOYSA-N
MW192.28 g/mol
LogP4.27
Rot. Bonds2

About buta-1,3-diene;fluoromethane;styrene

buta-1,3-diene;fluoromethane;styrene (PubChem CID 174915183) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is buta-1,3-diene;fluoromethane;styrene.

Molecular Properties

Compound Namebuta-1,3-diene;fluoromethane;styrene
PubChem CID174915183
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Namebuta-1,3-diene;fluoromethane;styrene
SMILESC=CC=C.C=Cc1ccccc1.CF
InChIInChI=1S/C8H8.C4H6.CH3F/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-2/h2-7H,1H2;3-4H,1-2H2;1H3
InChIKeyCNLAXUKANLIIGK-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;ethane;styrene
CID 21219610
buta-1,3-diene;2-methylprop-1-ene;styrene
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chloromethane;styrene
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styrene;tetrahydrofluoride
CID 68985344
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
dipotassium;hydride;styrene
CID 173457449
magnesium;styrene;dibromide
CID 170339005
penta-1,3-diene;styrene
CID 161284559
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
CID 173015900

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;fluoromethane;styrene?
The IUPAC name of buta-1,3-diene;fluoromethane;styrene (CID 174915183) is buta-1,3-diene;fluoromethane;styrene.
What is the SMILES notation for buta-1,3-diene;fluoromethane;styrene?
The canonical SMILES for buta-1,3-diene;fluoromethane;styrene is C=CC=C.C=Cc1ccccc1.CF.
What is the InChIKey of buta-1,3-diene;fluoromethane;styrene?
The InChIKey is CNLAXUKANLIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C4H6.CH3F/c1-2-8-6-4-3-5-7-8;1-3-4-2;1-2/h2-7H,1H2;3-4H,1-2H2;1H3.
What are the key properties of buta-1,3-diene;fluoromethane;styrene?
buta-1,3-diene;fluoromethane;styrene has a molecular weight of 192.28 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;fluoromethane;styrene is sourced from PubChem (CID 174915183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).