4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene

C7H5F9 — CID 11579778

IUPAC4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene
SMILESC=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2H,1,3H2
InChIKeyTWLUKCCXOGLBOR-UHFFFAOYSA-N
MW260.10 g/mol
LogP4.03
Rot. Bonds4

About 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene

4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene (PubChem CID 11579778) has the molecular formula C7H5F9 and a molecular weight of 260.10 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene
PubChem CID11579778
Molecular FormulaC7H5F9
Molecular Weight260.10 g/mol
Exact Mass260.02
IUPAC Name4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene
SMILESC=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2H,1,3H2
InChIKeyTWLUKCCXOGLBOR-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene
CID 69620
1-Undecene, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-
CID 11091776
3,3,4,4,5,5,6,6,7,7,7-Undecafluorohept-1-ene
CID 3019664
3,3,4,4,5,5,6,6-Octafluoro-1-hexene
CID 15828066
Ethene;3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene;1,1,2,2-tetrafluoroethene
CID 176369
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,5-Hexadiene, 1,1,2,3,3-pentafluoro-
CID 10844909
4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-nonene
CID 11100473
4,4,5,6,6,6-Hexafluoro-1-hexene
CID 15134947
4,4,5,5,6,6,6-Heptafluorohex-1-ene
CID 12594163
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodec-1-ene
CID 13299949

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene?
The IUPAC name of 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene (CID 11579778) is 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene.
What is the SMILES notation for 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene?
The canonical SMILES for 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene is C=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene?
The InChIKey is TWLUKCCXOGLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2H,1,3H2.
What are the key properties of 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene?
4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene has a molecular weight of 260.10 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,7-nonafluorohept-1-ene is sourced from PubChem (CID 11579778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).