N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide

C8H14FNO — CID 155070864

IUPACN-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCC(C)(C)C
InChIInChI=1S/C8H14FNO/c1-6(9)7(11)10-5-8(2,3)4/h1,5H2,2-4H3,(H,10,11)
InChIKeyZQRQAGUTVUTXKQ-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.63
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide

N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide (PubChem CID 155070864) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
PubChem CID155070864
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC NameN-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCC(C)(C)C
InChIInChI=1S/C8H14FNO/c1-6(9)7(11)10-5-8(2,3)4/h1,5H2,2-4H3,(H,10,11)
InChIKeyZQRQAGUTVUTXKQ-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide (CID 155070864) is N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide is C=C(F)C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide?
The InChIKey is ZQRQAGUTVUTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(9)7(11)10-5-8(2,3)4/h1,5H2,2-4H3,(H,10,11).
What are the key properties of N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide?
N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide has a molecular weight of 159.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 155070864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).