(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene

C9H12ClF5 — CID 25215694

IUPAC(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)CC/C=C\CCCCl
InChIInChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2/b2-1-
InChIKeyWNZJUZVCJCONPH-UPHRSURJSA-N
MW250.64 g/mol
LogP4.54
Rot. Bonds6

About (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene

(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene (PubChem CID 25215694) has the molecular formula C9H12ClF5 and a molecular weight of 250.64 g/mol. Its IUPAC name is (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene.

Molecular Properties

Compound Name(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
PubChem CID25215694
Molecular FormulaC9H12ClF5
Molecular Weight250.64 g/mol
Exact Mass250.05
IUPAC Name(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)CC/C=C\CCCCl
InChIInChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2/b2-1-
InChIKeyWNZJUZVCJCONPH-UPHRSURJSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-1,1,1-trifluorohept-2-ene
CID 77114659
(E)-6-chloro-1,1,1-trifluorohex-2-ene
CID 177852852
Cyclohexene, 3,6-dichloro-4,4,5,5-tetrafluoro-
CID 604424
5-Chloro-6,6-difluorohex-1-ene
CID 129923826
(E)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene
CID 25181461
2,5-Dichloro-1,4,4-trifluoroocta-2,6-diene
CID 57321708
1-Chloro-8,8,9,9,9-pentafluoronon-4-ene
CID 74400647
(E)-7-chloro-4-fluorooct-3-ene
CID 137505180
(5Z)-4-chloro-5-(trifluoromethyl)hepta-1,5-diene
CID 156184767
1-(Chloromethyl)-4,4-difluorocyclobutene;3,3-difluorocyclobutene;3,3-difluorocyclopentene
CID 159500009
1-Chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene
CID 175753114
(E)-4,5,6-trichloro-1,1,1,6,6-pentafluorohex-2-ene
CID 176269887

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The IUPAC name of (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene (CID 25215694) is (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene.
What is the SMILES notation for (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The canonical SMILES for (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene is FC(F)(F)C(F)(F)CC/C=C\CCCCl.
What is the InChIKey of (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
The InChIKey is WNZJUZVCJCONPH-UPHRSURJSA-N. The full InChI is InChI=1S/C9H12ClF5/c10-7-5-3-1-2-4-6-8(11,12)9(13,14)15/h1-2H,3-7H2/b2-1-.
What are the key properties of (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene?
(Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene has a molecular weight of 250.64 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-8,8,9,9,9-pentafluoronon-4-ene is sourced from PubChem (CID 25215694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).