2-fluoro-2-methyl-N-prop-2-enylpropanamide

C7H12FNO — CID 130165005

IUPAC2-fluoro-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)F
InChIInChI=1S/C7H12FNO/c1-4-5-9-6(10)7(2,3)8/h4H,1,5H2,2-3H3,(H,9,10)
InChIKeyVGQOXSUDKLYMJR-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.04
Rot. Bonds3

About 2-fluoro-2-methyl-N-prop-2-enylpropanamide

2-fluoro-2-methyl-N-prop-2-enylpropanamide (PubChem CID 130165005) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-prop-2-enylpropanamide
PubChem CID130165005
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name2-fluoro-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)F
InChIInChI=1S/C7H12FNO/c1-4-5-9-6(10)7(2,3)8/h4H,1,5H2,2-3H3,(H,9,10)
InChIKeyVGQOXSUDKLYMJR-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.04
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-Allylacetamide
CID 69653
N-Allylmethacrylamide
CID 75139
N-(2-methylprop-2-enyl)acetamide
CID 299750
N-(2-methylprop-2-enyl)prop-2-enamide
CID 15570308
Pivalamide, N-allyl-
CID 4172620
N-allyl butyramide
CID 4257022
N-prop-2-enylpropanamide
CID 5053902
2-methyl-N-prop-2-enylpropanamide
CID 4070749
3-Methyl-N-2-propen-1-ylbutanamide
CID 4070754
N-allyl-3-butenamide
CID 11182609
N-[(E)-but-2-enyl]acetamide
CID 13434395
N-2-butenylacetamide
CID 54126793

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-fluoro-2-methyl-N-prop-2-enylpropanamide (CID 130165005) is 2-fluoro-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is VGQOXSUDKLYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-4-5-9-6(10)7(2,3)8/h4H,1,5H2,2-3H3,(H,9,10).
What are the key properties of 2-fluoro-2-methyl-N-prop-2-enylpropanamide?
2-fluoro-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 145.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 130165005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).