3-fluoro-2-methylidenehexanamide

C7H12FNO — CID 87364885

IUPAC3-fluoro-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(F)CCC
InChIInChI=1S/C7H12FNO/c1-3-4-6(8)5(2)7(9)10/h6H,2-4H2,1H3,(H2,9,10)
InChIKeyRTEMROSJFKILTE-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.17
Rot. Bonds4

About 3-fluoro-2-methylidenehexanamide

3-fluoro-2-methylidenehexanamide (PubChem CID 87364885) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoro-2-methylidenehexanamide.

Molecular Properties

Compound Name3-fluoro-2-methylidenehexanamide
PubChem CID87364885
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-fluoro-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(F)CCC
InChIInChI=1S/C7H12FNO/c1-3-4-6(8)5(2)7(9)10/h6H,2-4H2,1H3,(H2,9,10)
InChIKeyRTEMROSJFKILTE-UHFFFAOYSA-N
XLogP1.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-methylidenehexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propylacrylamide
CID 12525274
Butylacrylamide
CID 12525275
Pentylacrylamide
CID 12525276
alpha-Nonylacrylamide
CID 13548054
Octylacrylamide
CID 17957570
2-Methylidenedodecanamide
CID 21275879
Dodecylacrylamide
CID 21275882
3,3,4,4,5,5,6,6,6-Nonafluoro-2-methylidenehexanamide
CID 87269835
3-Fluoro-2-methylidenedecanamide
CID 87364834
3,4,4,5,5,6,6-Heptafluoro-2-methylidenehexanamide
CID 87371239
(2Z)-2-(fluoromethylidene)butanamide
CID 89339098
3,3,4,4,5,5,6-Heptafluoro-2-methylidenehexanamide
CID 89922232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidenehexanamide?
The IUPAC name of 3-fluoro-2-methylidenehexanamide (CID 87364885) is 3-fluoro-2-methylidenehexanamide.
What is the SMILES notation for 3-fluoro-2-methylidenehexanamide?
The canonical SMILES for 3-fluoro-2-methylidenehexanamide is C=C(C(N)=O)C(F)CCC.
What is the InChIKey of 3-fluoro-2-methylidenehexanamide?
The InChIKey is RTEMROSJFKILTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-3-4-6(8)5(2)7(9)10/h6H,2-4H2,1H3,(H2,9,10).
What are the key properties of 3-fluoro-2-methylidenehexanamide?
3-fluoro-2-methylidenehexanamide has a molecular weight of 145.18 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidenehexanamide is sourced from PubChem (CID 87364885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).