1,1-difluorobut-1-ene;propane

C7H14F2 — CID 54149650

IUPAC1,1-difluorobut-1-ene;propane
SMILESCCC.CCC=C(F)F
InChIInChI=1S/C4H6F2.C3H8/c1-2-3-4(5)6;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyOGVVPBBAUOXTNP-UHFFFAOYSA-N
MW136.19 g/mol
LogP3.59
Rot. Bonds1

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

1,1-difluorobut-1-ene;propane (PubChem CID 54149650) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,1-difluorobut-1-ene;propane.

Molecular Properties

Compound Name1,1-difluorobut-1-ene;propane
PubChem CID54149650
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,1-difluorobut-1-ene;propane
SMILESCCC.CCC=C(F)F
InChIInChI=1S/C4H6F2.C3H8/c1-2-3-4(5)6;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyOGVVPBBAUOXTNP-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluorobut-1-ene;pentanoic acid
CID 174479516
(E)-1-fluorobut-1-en-1-amine
CID 174005766
3,3-difluoroprop-2-en-1-amine
CID 21111689
(Z)-3-fluoro-2-methylhex-3-ene
CID 23563725
4,4-difluorobut-3-en-1-ol
CID 14855882
1-fluorobut-1-enylhydrazine
CID 174399831
(Z)-1-ethoxy-1-fluorobut-1-ene
CID 173135435
but-1-ene-1,1-dithiol
CID 87922875
acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
CID 143818434
(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene
CID 167058020
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobut-1-ene;propane?
The IUPAC name of 1,1-difluorobut-1-ene;propane (CID 54149650) is 1,1-difluorobut-1-ene;propane.
What is the SMILES notation for 1,1-difluorobut-1-ene;propane?
The canonical SMILES for 1,1-difluorobut-1-ene;propane is CCC.CCC=C(F)F.
What is the InChIKey of 1,1-difluorobut-1-ene;propane?
The InChIKey is OGVVPBBAUOXTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2.C3H8/c1-2-3-4(5)6;1-3-2/h3H,2H2,1H3;3H2,1-2H3.
What are the key properties of 1,1-difluorobut-1-ene;propane?
1,1-difluorobut-1-ene;propane has a molecular weight of 136.19 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobut-1-ene;propane is sourced from PubChem (CID 54149650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).