2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide

C14H10F17NO2 — CID 3469487

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F17NO2/c15-7(16,6(33)32-4-5-2-1-3-34-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5H,1-4H2,(H,32,33)
InChIKeyHPTQFNLWBDFFAN-UHFFFAOYSA-N
MW547.21 g/mol
LogP5.29
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide (PubChem CID 3469487) has the molecular formula C14H10F17NO2 and a molecular weight of 547.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide
PubChem CID3469487
Molecular FormulaC14H10F17NO2
Molecular Weight547.21 g/mol
Exact Mass547.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide
SMILESO=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F17NO2/c15-7(16,6(33)32-4-5-2-1-3-34-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5H,1-4H2,(H,32,33)
InChIKeyHPTQFNLWBDFFAN-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.21
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 4083879
CID 4206975
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CID 40436336
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CID 40551150
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CID 45806630
CID 45806630
CID 60401587
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CID 80003687
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CID 80009857
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide (CID 3469487) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide is O=C(NCC1CCCO1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide?
The InChIKey is HPTQFNLWBDFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F17NO2/c15-7(16,6(33)32-4-5-2-1-3-34-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5H,1-4H2,(H,32,33).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide has a molecular weight of 547.21 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(oxolan-2-ylmethyl)nonanamide is sourced from PubChem (CID 3469487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).