(2E)-2-(fluoromethylidene)-N-methylbutanamide

C6H10FNO — CID 90023144

IUPAC(2E)-2-(fluoromethylidene)-N-methylbutanamide
SMILESCC/C(=C\F)C(=O)NC
InChIInChI=1S/C6H10FNO/c1-3-5(4-7)6(9)8-2/h4H,3H2,1-2H3,(H,8,9)/b5-4+
InChIKeyIFUGHMDNNOTDFA-SNAWJCMRSA-N
MW131.15 g/mol
LogP1.00
Rot. Bonds2

About (2E)-2-(fluoromethylidene)-N-methylbutanamide

(2E)-2-(fluoromethylidene)-N-methylbutanamide (PubChem CID 90023144) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-N-methylbutanamide.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-N-methylbutanamide
PubChem CID90023144
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(2E)-2-(fluoromethylidene)-N-methylbutanamide
SMILESCC/C(=C\F)C(=O)NC
InChIInChI=1S/C6H10FNO/c1-3-5(4-7)6(9)8-2/h4H,3H2,1-2H3,(H,8,9)/b5-4+
InChIKeyIFUGHMDNNOTDFA-SNAWJCMRSA-N
XLogP1.00
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 ≤ 51.00
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 (2E)-2-(fluoromethylidene)-N-methylbutanamide?
The IUPAC name of (2E)-2-(fluoromethylidene)-N-methylbutanamide (CID 90023144) is (2E)-2-(fluoromethylidene)-N-methylbutanamide.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-N-methylbutanamide?
The canonical SMILES for (2E)-2-(fluoromethylidene)-N-methylbutanamide is CC/C(=C\F)C(=O)NC.
What is the InChIKey of (2E)-2-(fluoromethylidene)-N-methylbutanamide?
The InChIKey is IFUGHMDNNOTDFA-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10FNO/c1-3-5(4-7)6(9)8-2/h4H,3H2,1-2H3,(H,8,9)/b5-4+.
What are the key properties of (2E)-2-(fluoromethylidene)-N-methylbutanamide?
(2E)-2-(fluoromethylidene)-N-methylbutanamide has a molecular weight of 131.15 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)-N-methylbutanamide is sourced from PubChem (CID 90023144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).