N-(2-fluoropropan-2-yl)prop-2-enamide

C6H10FNO — CID 155270670

IUPACN-(2-fluoropropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)F
InChIInChI=1S/C6H10FNO/c1-4-5(9)8-6(2,3)7/h4H,1H2,2-3H3,(H,8,9)
InChIKeyKCHFHVDWUUACSJ-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.99
Rot. Bonds2

About N-(2-fluoropropan-2-yl)prop-2-enamide

N-(2-fluoropropan-2-yl)prop-2-enamide (PubChem CID 155270670) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is N-(2-fluoropropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-fluoropropan-2-yl)prop-2-enamide
PubChem CID155270670
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC NameN-(2-fluoropropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)F
InChIInChI=1S/C6H10FNO/c1-4-5(9)8-6(2,3)7/h4H,1H2,2-3H3,(H,8,9)
InChIKeyKCHFHVDWUUACSJ-UHFFFAOYSA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-fluoropropan-2-yl)prop-2-enamide (CID 155270670) is N-(2-fluoropropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-fluoropropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-fluoropropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)F.
What is the InChIKey of N-(2-fluoropropan-2-yl)prop-2-enamide?
The InChIKey is KCHFHVDWUUACSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4-5(9)8-6(2,3)7/h4H,1H2,2-3H3,(H,8,9).
What are the key properties of N-(2-fluoropropan-2-yl)prop-2-enamide?
N-(2-fluoropropan-2-yl)prop-2-enamide has a molecular weight of 131.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropan-2-yl)prop-2-enamide is sourced from PubChem (CID 155270670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).