N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide

C8H14FNO — CID 131243347

IUPACN-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)F
InChIInChI=1S/C8H14FNO/c1-4-5-6-10-7(11)8(2,3)9/h4-5H,6H2,1-3H3,(H,10,11)/b5-4+
InChIKeyRLXGVONLEQWSKA-SNAWJCMRSA-N
MW159.20 g/mol
LogP1.43
Rot. Bonds3

About N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide

N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide (PubChem CID 131243347) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide
PubChem CID131243347
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC NameN-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide
SMILESC/C=C/CNC(=O)C(C)(C)F
InChIInChI=1S/C8H14FNO/c1-4-5-6-10-7(11)8(2,3)9/h4-5H,6H2,1-3H3,(H,10,11)/b5-4+
InChIKeyRLXGVONLEQWSKA-SNAWJCMRSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Allylmethacrylamide
CID 75139
(E)-N-(2-methylpropyl)but-2-enamide
CID 10975585
Pivalamide, N-allyl-
CID 4172620
N-allyl butyramide
CID 4257022
N-prop-2-enylpropanamide
CID 5053902
(E)-N-(2-methylprop-2-enyl)but-2-enamide
CID 114615984
2-methyl-N-prop-2-enylpropanamide
CID 4070749
3-Methyl-N-2-propen-1-ylbutanamide
CID 4070754
N-[(E)-but-2-enyl]acetamide
CID 13434395
N-2-butenylacetamide
CID 54126793
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide
CID 21042362

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide (CID 131243347) is N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide is C/C=C/CNC(=O)C(C)(C)F.
What is the InChIKey of N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide?
The InChIKey is RLXGVONLEQWSKA-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-5-6-10-7(11)8(2,3)9/h4-5H,6H2,1-3H3,(H,10,11)/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide?
N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide has a molecular weight of 159.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 131243347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).