1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene

C9H2ClF15 — CID 175753114

IUPAC1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H2ClF15/c10-8(21,22)6(17,18)4(13,14)2-1-3(11,12)5(15,16)7(19,20)9(23,24)25/h1-2H
InChIKeyRFEQXKWRGLUHFD-UHFFFAOYSA-N
MW430.54 g/mol
LogP6.11
Rot. Bonds6

About 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene

1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene (PubChem CID 175753114) has the molecular formula C9H2ClF15 and a molecular weight of 430.54 g/mol. Its IUPAC name is 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene.

Molecular Properties

Compound Name1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene
PubChem CID175753114
Molecular FormulaC9H2ClF15
Molecular Weight430.54 g/mol
Exact Mass429.96
IUPAC Name1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H2ClF15/c10-8(21,22)6(17,18)4(13,14)2-1-3(11,12)5(15,16)7(19,20)9(23,24)25/h1-2H
InChIKeyRFEQXKWRGLUHFD-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene?
The IUPAC name of 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene (CID 175753114) is 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene.
What is the SMILES notation for 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene?
The canonical SMILES for 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene?
The InChIKey is RFEQXKWRGLUHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClF15/c10-8(21,22)6(17,18)4(13,14)2-1-3(11,12)5(15,16)7(19,20)9(23,24)25/h1-2H.
What are the key properties of 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene?
1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene has a molecular weight of 430.54 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,2,3,3,6,6,7,7,8,8,9,9,9-pentadecafluoronon-4-ene is sourced from PubChem (CID 175753114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).