N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide

C7H7F7N2O — CID 175127433

IUPACN-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCN(C)/C=N/C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F7N2O/c1-16(2)3-15-4(17)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3/b15-3+
InChIKeyBJBKNRPUXKRXGM-CRKCGEKBSA-N
MW268.13 g/mol
LogP1.94
Rot. Bonds3

About N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 175127433) has the molecular formula C7H7F7N2O and a molecular weight of 268.13 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID175127433
Molecular FormulaC7H7F7N2O
Molecular Weight268.13 g/mol
Exact Mass268.04
IUPAC NameN-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCN(C)/C=N/C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F7N2O/c1-16(2)3-15-4(17)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3/b15-3+
InChIKeyBJBKNRPUXKRXGM-CRKCGEKBSA-N
XLogP1.94
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

butane;2,2,3,3,4,4,4-heptafluorobutanoic acid
CID 173358412
N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide
CID 12066207
methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
CID 175541225
2,2,3,3,4,4,4-heptafluoro-N-methyl-N-propylbutanamide
CID 169289327
(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
CID 12951193
1,3-bis(dimethylaminomethylidene)thiourea
CID 3370715
1,1,1,2,2,3,3,7,7,8,8,9,9,9-tetradecafluorononane-4,6-dione
CID 617328
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
S-(3,5-dimethylphenyl) 2,2,3,3,4,4,4-heptafluorobutanethioate
CID 91715813
1-ethoxy-4,4,5,5,6,6,6-heptafluoro-1-oxohex-2-en-3-olate
CID 4292676
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 118933717

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 175127433) is N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide is CN(C)/C=N/C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is BJBKNRPUXKRXGM-CRKCGEKBSA-N. The full InChI is InChI=1S/C7H7F7N2O/c1-16(2)3-15-4(17)5(8,9)6(10,11)7(12,13)14/h3H,1-2H3/b15-3+.
What are the key properties of N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 268.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 175127433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).