3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide

C7H6F7NO — CID 87371239

IUPAC3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H6F7NO/c1-2(4(15)16)3(8)6(11,12)7(13,14)5(9)10/h3,5H,1H2,(H2,15,16)
InChIKeyALGLEPFYUBIXSI-UHFFFAOYSA-N
MW253.12 g/mol
LogP1.90
Rot. Bonds5

About 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide

3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide (PubChem CID 87371239) has the molecular formula C7H6F7NO and a molecular weight of 253.12 g/mol. Its IUPAC name is 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide.

Molecular Properties

Compound Name3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide
PubChem CID87371239
Molecular FormulaC7H6F7NO
Molecular Weight253.12 g/mol
Exact Mass253.03
IUPAC Name3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H6F7NO/c1-2(4(15)16)3(8)6(11,12)7(13,14)5(9)10/h3,5H,1H2,(H2,15,16)
InChIKeyALGLEPFYUBIXSI-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,3,3,3-tetrafluoropropanamide
CID 7005133
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluoro-2-methylidenedecanoic acid
CID 87141883
1-chloroethenyl 2,3,3,3-tetrafluoropropanoate
CID 175302669
3,3,4,4,5,5-hexafluoro-2-hydroxypentanoic acid
CID 15312130
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9-hexadecafluorononan-5-one
CID 87966898
4-methyl-2-methylidene-3-propan-2-ylpentanamide
CID 141368866
2,2,3,3,4,4-hexafluorobutanoic acid;silver
CID 165155823
2,3,3-trifluoro-2-methylpropanamide
CID 139700951
3-amino-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanamide
CID 170876102
2-aminoprop-2-enamide
CID 3332061
3-amino-5,5,5-trifluoro-2-oxopentanamide
CID 151532449
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononaneperoxoate
CID 23112153

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide?
The IUPAC name of 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide (CID 87371239) is 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide.
What is the SMILES notation for 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide?
The canonical SMILES for 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide is C=C(C(N)=O)C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide?
The InChIKey is ALGLEPFYUBIXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7NO/c1-2(4(15)16)3(8)6(11,12)7(13,14)5(9)10/h3,5H,1H2,(H2,15,16).
What are the key properties of 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide?
3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide has a molecular weight of 253.12 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6-heptafluoro-2-methylidenehexanamide is sourced from PubChem (CID 87371239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).