4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene

C10H13F7O — CID 90704672

IUPAC4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene
SMILESCCCOCC=C(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O/c1-3-5-18-6-4-7(2)8(11,12)9(13,14)10(15,16)17/h4H,3,5-6H2,1-2H3
InChIKeyAHCLZKXASZEHGD-UHFFFAOYSA-N
MW282.20 g/mol
LogP4.19
Rot. Bonds6

About 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene

4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene (PubChem CID 90704672) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene
PubChem CID90704672
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene
SMILESCCCOCC=C(C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O/c1-3-5-18-6-4-7(2)8(11,12)9(13,14)10(15,16)17/h4H,3,5-6H2,1-2H3
InChIKeyAHCLZKXASZEHGD-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 54.19
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
(3E,7E,11E)-3,7,11-trimethyl-1-oxacyclotrideca-3,7,11-triene
CID 13966975
4-Methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
CID 14898814
(6E)-2,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015260
(6E)-3,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015261
1-Ethoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-ene
CID 88396511
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
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-1-propoxyhex-2-ene
CID 90755162
1-Ethoxy-7,7-difluorohept-2-ene
CID 90883548

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene?
The IUPAC name of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene (CID 90704672) is 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene.
What is the SMILES notation for 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene?
The canonical SMILES for 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene is CCCOCC=C(C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene?
The InChIKey is AHCLZKXASZEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c1-3-5-18-6-4-7(2)8(11,12)9(13,14)10(15,16)17/h4H,3,5-6H2,1-2H3.
What are the key properties of 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene?
4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene has a molecular weight of 282.20 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,6-heptafluoro-3-methyl-1-propoxyhex-2-ene is sourced from PubChem (CID 90704672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).