2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione

C16H16F6O2 — CID 58952836

IUPAC2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione
SMILESCCCCCCCC(=O)C(F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H16F6O2/c1-2-3-4-5-6-7-8(23)10(17)16(24)9-11(18)13(20)15(22)14(21)12(9)19/h10H,2-7H2,1H3
InChIKeyNKRCLNMDJHCBJB-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.83
Rot. Bonds9

About 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione

2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione (PubChem CID 58952836) has the molecular formula C16H16F6O2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione.

Molecular Properties

Compound Name2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione
PubChem CID58952836
Molecular FormulaC16H16F6O2
Molecular Weight354.29 g/mol
Exact Mass354.11
IUPAC Name2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione
SMILESCCCCCCCC(=O)C(F)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H16F6O2/c1-2-3-4-5-6-7-8(23)10(17)16(24)9-11(18)13(20)15(22)14(21)12(9)19/h10H,2-7H2,1H3
InChIKeyNKRCLNMDJHCBJB-UHFFFAOYSA-N
XLogP4.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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2-hydroxyicosan-3-one
CID 57023276
2-oxononane-1,1-disulfonic acid
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N-(2,3,4,5,6-pentafluorophenyl)undecanamide
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11-propylhenicosane-10,12-dione
CID 57313364
2-chloroheptadecan-3-one
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CID 141100144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione?
The IUPAC name of 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione (CID 58952836) is 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione.
What is the SMILES notation for 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione?
The canonical SMILES for 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione is CCCCCCCC(=O)C(F)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione?
The InChIKey is NKRCLNMDJHCBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6O2/c1-2-3-4-5-6-7-8(23)10(17)16(24)9-11(18)13(20)15(22)14(21)12(9)19/h10H,2-7H2,1H3.
What are the key properties of 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione?
2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione has a molecular weight of 354.29 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2,3,4,5,6-pentafluorophenyl)decane-1,3-dione is sourced from PubChem (CID 58952836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).