7,7-difluoro-1-methoxyhept-2-ene

C8H14F2O — CID 91613302

IUPAC7,7-difluoro-1-methoxyhept-2-ene
SMILESCOCC=CCCCC(F)F
InChIInChI=1S/C8H14F2O/c1-11-7-5-3-2-4-6-8(9)10/h3,5,8H,2,4,6-7H2,1H3
InChIKeyXJXALJKDMLPTBV-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.62
Rot. Bonds6

About 7,7-difluoro-1-methoxyhept-2-ene

7,7-difluoro-1-methoxyhept-2-ene (PubChem CID 91613302) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 7,7-difluoro-1-methoxyhept-2-ene.

Molecular Properties

Compound Name7,7-difluoro-1-methoxyhept-2-ene
PubChem CID91613302
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name7,7-difluoro-1-methoxyhept-2-ene
SMILESCOCC=CCCCC(F)F
InChIInChI=1S/C8H14F2O/c1-11-7-5-3-2-4-6-8(9)10/h3,5,8H,2,4,6-7H2,1H3
InChIKeyXJXALJKDMLPTBV-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,6-Octadiene, 8-methoxy-
CID 5362853
1-Methoxy-2,7-octadiene
CID 535026
(E)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-methoxynon-2-ene
CID 10872828
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-methoxyundec-2-ene
CID 11016437
(6E)-2,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015260
(E)-1,1-difluoro-1-methoxyhex-2-ene
CID 21353168
(E)-1,1-difluoro-1-methoxyoct-2-ene
CID 21353169
1-Ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
CID 88396511
4,4,5,5-Tetrafluoro-1-(4,4,5,5-tetrafluoropent-2-enoxy)pent-2-ene
CID 89405455
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propoxyhex-2-ene
CID 90704672
(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene
CID 90708717
4,4,5,5,6,6,6-Heptafluoro-1-propoxyhex-2-ene
CID 90755162

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-1-methoxyhept-2-ene?
The IUPAC name of 7,7-difluoro-1-methoxyhept-2-ene (CID 91613302) is 7,7-difluoro-1-methoxyhept-2-ene.
What is the SMILES notation for 7,7-difluoro-1-methoxyhept-2-ene?
The canonical SMILES for 7,7-difluoro-1-methoxyhept-2-ene is COCC=CCCCC(F)F.
What is the InChIKey of 7,7-difluoro-1-methoxyhept-2-ene?
The InChIKey is XJXALJKDMLPTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-11-7-5-3-2-4-6-8(9)10/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 7,7-difluoro-1-methoxyhept-2-ene?
7,7-difluoro-1-methoxyhept-2-ene has a molecular weight of 164.19 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-1-methoxyhept-2-ene is sourced from PubChem (CID 91613302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).