2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide

C14H11F7N2O — CID 7124439

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
SMILESCC(/C=C/c1ccccc1)=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F7N2O/c1-9(7-8-10-5-3-2-4-6-10)22-23-11(24)12(15,16)13(17,18)14(19,20)21/h2-8H,1H3,(H,23,24)/b8-7+,22-9+
InChIKeyDCWVRJUILJBUSB-GSXCIMNCSA-N
MW356.24 g/mol
LogP4.02
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide (PubChem CID 7124439) has the molecular formula C14H11F7N2O and a molecular weight of 356.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
PubChem CID7124439
Molecular FormulaC14H11F7N2O
Molecular Weight356.24 g/mol
Exact Mass356.08
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
SMILESCC(/C=C/c1ccccc1)=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H11F7N2O/c1-9(7-8-10-5-3-2-4-6-10)22-23-11(24)12(15,16)13(17,18)14(19,20)21/h2-8H,1H3,(H,23,24)/b8-7+,22-9+
InChIKeyDCWVRJUILJBUSB-GSXCIMNCSA-N
XLogP4.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.02
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

N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
1-methyl-3-(4-phenylbut-3-en-2-ylideneamino)thiourea
CID 4989240
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
4-methoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 7348333

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide (CID 7124439) is 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide is CC(/C=C/c1ccccc1)=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
The InChIKey is DCWVRJUILJBUSB-GSXCIMNCSA-N. The full InChI is InChI=1S/C14H11F7N2O/c1-9(7-8-10-5-3-2-4-6-10)22-23-11(24)12(15,16)13(17,18)14(19,20)21/h2-8H,1H3,(H,23,24)/b8-7+,22-9+.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide has a molecular weight of 356.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide is sourced from PubChem (CID 7124439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).