(E)-4,4-difluorohept-2-ene;ethane

C11H24F2 — CID 143807036

IUPAC(E)-4,4-difluorohept-2-ene;ethane
SMILESC/C=C/C(F)(F)CCC.CC.CC
InChIInChI=1S/C7H12F2.2C2H6/c1-3-5-7(8,9)6-4-2;2*1-2/h3,5H,4,6H2,1-2H3;2*1-2H3/b5-3+;;
InChIKeyWQVVMUUSVXOTRT-RQCPZROWSA-N
MW194.31 g/mol
LogP5.05
Rot. Bonds3

About (E)-4,4-difluorohept-2-ene;ethane

(E)-4,4-difluorohept-2-ene;ethane (PubChem CID 143807036) has the molecular formula C11H24F2 and a molecular weight of 194.31 g/mol. Its IUPAC name is (E)-4,4-difluorohept-2-ene;ethane.

Molecular Properties

Compound Name(E)-4,4-difluorohept-2-ene;ethane
PubChem CID143807036
Molecular FormulaC11H24F2
Molecular Weight194.31 g/mol
Exact Mass194.18
IUPAC Name(E)-4,4-difluorohept-2-ene;ethane
SMILESC/C=C/C(F)(F)CCC.CC.CC
InChIInChI=1S/C7H12F2.2C2H6/c1-3-5-7(8,9)6-4-2;2*1-2/h3,5H,4,6H2,1-2H3;2*1-2H3/b5-3+;;
InChIKeyWQVVMUUSVXOTRT-RQCPZROWSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.31
LogP ≤ 55.05
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)-2,2-difluoropent-3-en-1-ol;ethane
CID 143806993
4-methyl-4-propylhept-2-ene
CID 123389519
(E)-6,6-difluoronon-2-ene
CID 134343718
(E)-6-ethyl-4,4-difluoro-8-methylnon-2-ene
CID 176963028
4-fluoro-4-methyloctane;2-methylbut-2-ene
CID 142363680
(Z)-hex-4-ene-3,3-diamine
CID 90219122
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
4,4-dimethylnon-2-ene
CID 54495291
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-2-ene
CID 89419217
2-fluoro-2-methylpentan-1-amine
CID 84716027
4-phosphanylhept-2-en-4-yl tris(trimethylsilyl) silicate
CID 91076456

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluorohept-2-ene;ethane?
The IUPAC name of (E)-4,4-difluorohept-2-ene;ethane (CID 143807036) is (E)-4,4-difluorohept-2-ene;ethane.
What is the SMILES notation for (E)-4,4-difluorohept-2-ene;ethane?
The canonical SMILES for (E)-4,4-difluorohept-2-ene;ethane is C/C=C/C(F)(F)CCC.CC.CC.
What is the InChIKey of (E)-4,4-difluorohept-2-ene;ethane?
The InChIKey is WQVVMUUSVXOTRT-RQCPZROWSA-N. The full InChI is InChI=1S/C7H12F2.2C2H6/c1-3-5-7(8,9)6-4-2;2*1-2/h3,5H,4,6H2,1-2H3;2*1-2H3/b5-3+;;.
What are the key properties of (E)-4,4-difluorohept-2-ene;ethane?
(E)-4,4-difluorohept-2-ene;ethane has a molecular weight of 194.31 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluorohept-2-ene;ethane is sourced from PubChem (CID 143807036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).