N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C11H7F13N2O — CID 5365735

IUPACN-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESC/C=C/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F13N2O/c1-2-3-4-25-26-5(27)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3,(H,26,27)/b3-2+,25-4-
InChIKeyUTPIUWDVDSEPNW-OMGQZGQGSA-N
MW430.16 g/mol
LogP4.40
Rot. Bonds7

About N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 5365735) has the molecular formula C11H7F13N2O and a molecular weight of 430.16 g/mol. Its IUPAC name is N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID5365735
Molecular FormulaC11H7F13N2O
Molecular Weight430.16 g/mol
Exact Mass430.04
IUPAC NameN-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESC/C=C/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F13N2O/c1-2-3-4-25-26-5(27)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3,(H,26,27)/b3-2+,25-4-
InChIKeyUTPIUWDVDSEPNW-OMGQZGQGSA-N
XLogP4.40
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.16
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(4-methoxyphenyl)methylideneamino]heptanamide
CID 4283844
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
[(Z)-[(Z)-but-2-enylidene]amino]urea
CID 92532250
CID 87771874
CID 87771874
N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
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
N-[2,2-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 3406940
N-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 174754859
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87197616
CID 87197616
methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
CID 175541225

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 5365735) is N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is C/C=C/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is UTPIUWDVDSEPNW-OMGQZGQGSA-N. The full InChI is InChI=1S/C11H7F13N2O/c1-2-3-4-25-26-5(27)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3,(H,26,27)/b3-2+,25-4-.
What are the key properties of N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 430.16 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-but-2-enylidene]amino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 5365735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).