1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene

C8H7F9 — CID 87084484

IUPAC1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H7F9/c1-2-3-6(12,13)8(16,17)7(14,15)4(9)5(10)11/h2-3H2,1H3
InChIKeyTWAMBPQDLDRMSB-UHFFFAOYSA-N
MW274.13 g/mol
LogP4.77
Rot. Bonds5

About 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene

1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene (PubChem CID 87084484) has the molecular formula C8H7F9 and a molecular weight of 274.13 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
PubChem CID87084484
Molecular FormulaC8H7F9
Molecular Weight274.13 g/mol
Exact Mass274.04
IUPAC Name1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H7F9/c1-2-3-6(12,13)8(16,17)7(14,15)4(9)5(10)11/h2-3H2,1H3
InChIKeyTWAMBPQDLDRMSB-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorododec-1-ene
CID 87394996
1,1,2,3,3,4,4-heptafluorododec-1-ene
CID 154155860
1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
CID 150787690
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
1,1,2,3,3,4,4,5,5,6,6-undecafluorohept-1-ene
CID 87084377
1,1,2,3,3,4,4,5,5,5-decafluoropent-1-ene;dihydrate
CID 139608619
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
5,5-dichloro-1,1,2,3,3,4,4,5-octafluoropent-1-ene
CID 139602827
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
CID 155372956
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,1,2,2,3,3,4,5,5-nonafluoropent-4-enoxy)pent-1-ene
CID 87892167
(E)-1,1,1,2,3,4,4,5,5,6,6,7-dodecafluorohept-2-ene
CID 87277497
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene (CID 87084484) is 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene is CCCC(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene?
The InChIKey is TWAMBPQDLDRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9/c1-2-3-6(12,13)8(16,17)7(14,15)4(9)5(10)11/h2-3H2,1H3.
What are the key properties of 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene?
1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene has a molecular weight of 274.13 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5-nonafluorooct-1-ene is sourced from PubChem (CID 87084484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).