2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide

C9H14FNO — CID 131175716

IUPAC2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide
SMILESCC(CF)NC(=O)C=C1CCC1
InChIInChI=1S/C9H14FNO/c1-7(6-10)11-9(12)5-8-3-2-4-8/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyAVWWBEQNMQQKSP-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.57
Rot. Bonds3

About 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide

2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide (PubChem CID 131175716) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide
PubChem CID131175716
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide
SMILESCC(CF)NC(=O)C=C1CCC1
InChIInChI=1S/C9H14FNO/c1-7(6-10)11-9(12)5-8-3-2-4-8/h5,7H,2-4,6H2,1H3,(H,11,12)
InChIKeyAVWWBEQNMQQKSP-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.57
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 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide?
The IUPAC name of 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide (CID 131175716) is 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide.
What is the SMILES notation for 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide?
The canonical SMILES for 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide is CC(CF)NC(=O)C=C1CCC1.
What is the InChIKey of 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide?
The InChIKey is AVWWBEQNMQQKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-7(6-10)11-9(12)5-8-3-2-4-8/h5,7H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide?
2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide has a molecular weight of 171.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-N-(1-fluoropropan-2-yl)acetamide is sourced from PubChem (CID 131175716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).