1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one

C17H24F10O — CID 175415315

IUPAC1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
SMILESCC(CCCCC(F)(F)F)C(F)(F)C(=O)C(F)(F)C(C)CCCCC(F)(F)F
InChIInChI=1S/C17H24F10O/c1-11(7-3-5-9-14(18,19)20)16(24,25)13(28)17(26,27)12(2)8-4-6-10-15(21,22)23/h11-12H,3-10H2,1-2H3
InChIKeyNXCSGPNJLAUTIB-UHFFFAOYSA-N
MW434.36 g/mol
LogP7.34
Rot. Bonds12

About 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one

1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one (PubChem CID 175415315) has the molecular formula C17H24F10O and a molecular weight of 434.36 g/mol. Its IUPAC name is 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one.

Molecular Properties

Compound Name1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
PubChem CID175415315
Molecular FormulaC17H24F10O
Molecular Weight434.36 g/mol
Exact Mass434.17
IUPAC Name1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one
SMILESCC(CCCCC(F)(F)F)C(F)(F)C(=O)C(F)(F)C(C)CCCCC(F)(F)F
InChIInChI=1S/C17H24F10O/c1-11(7-3-5-9-14(18,19)20)16(24,25)13(28)17(26,27)12(2)8-4-6-10-15(21,22)23/h11-12H,3-10H2,1-2H3
InChIKeyNXCSGPNJLAUTIB-UHFFFAOYSA-N
XLogP7.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1-triethoxy-10,10,10-trifluoro-2-methyldecane
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1,1,1-trifluoro-6,7-dimethyloctane
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7,7,7-trifluoro-2-propylheptanoic acid
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8,8,8-trifluoro-2-propyloctanoic acid
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1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
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6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
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1-(6,6,6-trifluorohexan-2-yl)azetidine-3-carboxylic acid
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1,7,7,7-tetrafluoroheptane-1-sulfonic acid
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CID 83137658

Frequently Asked Questions

What is the IUPAC name of 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one?
The IUPAC name of 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one (CID 175415315) is 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one.
What is the SMILES notation for 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one?
The canonical SMILES for 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one is CC(CCCCC(F)(F)F)C(F)(F)C(=O)C(F)(F)C(C)CCCCC(F)(F)F.
What is the InChIKey of 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one?
The InChIKey is NXCSGPNJLAUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F10O/c1-11(7-3-5-9-14(18,19)20)16(24,25)13(28)17(26,27)12(2)8-4-6-10-15(21,22)23/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one?
1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one has a molecular weight of 434.36 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7,9,9,15,15,15-decafluoro-6,10-dimethylpentadecan-8-one is sourced from PubChem (CID 175415315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).