(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene

C9H5F13 — CID 13299944

IUPAC(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
SMILESC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3/b3-2-
InChIKeyZYHWHNDIVSRFMS-IHWYPQMZSA-N
MW360.11 g/mol
LogP5.30
Rot. Bonds5

About (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene

(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene (PubChem CID 13299944) has the molecular formula C9H5F13 and a molecular weight of 360.11 g/mol. Its IUPAC name is (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene.

Molecular Properties

Compound Name(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
PubChem CID13299944
Molecular FormulaC9H5F13
Molecular Weight360.11 g/mol
Exact Mass360.02
IUPAC Name(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene
SMILESC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3/b3-2-
InChIKeyZYHWHNDIVSRFMS-IHWYPQMZSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.30
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'}

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Related Compounds

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CID 174780753
1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododec-1-ene
CID 87484232
1,3,3,4,4,5,5,6,6,6-decafluorohex-1-ene
CID 87266464
(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
CID 98453175
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-ene
CID 176629655
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene;hydroiodide
CID 175246817
4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
CID 160505772
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-2-ene
CID 89419217
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanal
CID 91543394
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
The IUPAC name of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene (CID 13299944) is (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene.
What is the SMILES notation for (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
The canonical SMILES for (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene is C/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
The InChIKey is ZYHWHNDIVSRFMS-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H5F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H,1H3/b3-2-.
What are the key properties of (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene?
(Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene has a molecular weight of 360.11 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoronon-2-ene is sourced from PubChem (CID 13299944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).