3,3-difluorobut-1-ene;propane

C7H14F2 — CID 143721745

IUPAC3,3-difluorobut-1-ene;propane
SMILESC=CC(C)(F)F.CCC
InChIInChI=1S/C4H6F2.C3H8/c1-3-4(2,5)6;1-3-2/h3H,1H2,2H3;3H2,1-2H3
InChIKeyDVHLVYSTMAMIEA-UHFFFAOYSA-N
MW136.18 g/mol
LogP3.24
Rot. Bonds1

About 3,3-difluorobut-1-ene;propane

3,3-difluorobut-1-ene;propane (PubChem CID 143721745) has the molecular formula C7H14F2 and a molecular weight of 136.18 g/mol. Its IUPAC name is 3,3-difluorobut-1-ene;propane.

Molecular Properties

Compound Name3,3-difluorobut-1-ene;propane
PubChem CID143721745
Molecular FormulaC7H14F2
Molecular Weight136.18 g/mol
Exact Mass136.11
IUPAC Name3,3-difluorobut-1-ene;propane
SMILESC=CC(C)(F)F.CCC
InChIInChI=1S/C4H6F2.C3H8/c1-3-4(2,5)6;1-3-2/h3H,1H2,2H3;3H2,1-2H3
InChIKeyDVHLVYSTMAMIEA-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 53.24
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

(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
ethene;1,1,1-trifluoroethane
CID 175131333
3,3,3-trifluoroprop-1-ene
CID 90915807
3,3-dimethylpent-1-ene;ethane
CID 142059460
but-1-ene;ethane;ethene;propane
CID 144521241
2-ethyl-2-fluorobut-3-en-1-amine
CID 112565923
ethene;propane;hydroiodide
CID 142942633
ethane;ethene;propane
CID 143348401
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
but-1-ene;ethene
CID 19017343
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
3-(chloromethyl)-3-methyl-5-(trifluoromethylsulfanyl)pent-1-ene
CID 102642086

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobut-1-ene;propane?
The IUPAC name of 3,3-difluorobut-1-ene;propane (CID 143721745) is 3,3-difluorobut-1-ene;propane.
What is the SMILES notation for 3,3-difluorobut-1-ene;propane?
The canonical SMILES for 3,3-difluorobut-1-ene;propane is C=CC(C)(F)F.CCC.
What is the InChIKey of 3,3-difluorobut-1-ene;propane?
The InChIKey is DVHLVYSTMAMIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2.C3H8/c1-3-4(2,5)6;1-3-2/h3H,1H2,2H3;3H2,1-2H3.
What are the key properties of 3,3-difluorobut-1-ene;propane?
3,3-difluorobut-1-ene;propane has a molecular weight of 136.18 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobut-1-ene;propane is sourced from PubChem (CID 143721745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).