2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide

C12H16F9NO — CID 59017701

IUPAC2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide
SMILESCCC(C)(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H16F9NO/c1-4-8(2,3)7(23)22-6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-6H2,1-3H3,(H,22,23)
InChIKeyZTMAXTXGQQXGKR-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.40
Rot. Bonds7

About 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide

2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide (PubChem CID 59017701) has the molecular formula C12H16F9NO and a molecular weight of 361.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide
PubChem CID59017701
Molecular FormulaC12H16F9NO
Molecular Weight361.25 g/mol
Exact Mass361.11
IUPAC Name2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide
SMILESCCC(C)(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H16F9NO/c1-4-8(2,3)7(23)22-6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-6H2,1-3H3,(H,22,23)
InChIKeyZTMAXTXGQQXGKR-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-undecylbutanamide
CID 607665
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
n-Decyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614791
n-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614894
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
CID 4686073
1-Aminopentane PFP
CID 600673
Pentafluoropropanamide, N-octyl-
CID 600760
Pentafluoropropanamide, N-nonyl-
CID 600778
1-Aminohexane, PFP
CID 600779
Pentafluoropropanamide, N-heptyl-
CID 600945

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide (CID 59017701) is 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide is CCC(C)(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide?
The InChIKey is ZTMAXTXGQQXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F9NO/c1-4-8(2,3)7(23)22-6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-6H2,1-3H3,(H,22,23).
What are the key properties of 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide?
2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide has a molecular weight of 361.25 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)butanamide is sourced from PubChem (CID 59017701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).