3-fluoro-N,3-dimethylcyclobutane-1-carboxamide

C7H12FNO — CID 135178556

IUPAC3-fluoro-N,3-dimethylcyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(C)(F)C1
InChIInChI=1S/C7H12FNO/c1-7(8)3-5(4-7)6(10)9-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyMKCHANKBEMOQDJ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.87
Rot. Bonds1

About 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide

3-fluoro-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 135178556) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID135178556
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name3-fluoro-N,3-dimethylcyclobutane-1-carboxamide
SMILESCNC(=O)C1CC(C)(F)C1
InChIInChI=1S/C7H12FNO/c1-7(8)3-5(4-7)6(10)9-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyMKCHANKBEMOQDJ-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide (CID 135178556) is 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide is CNC(=O)C1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is MKCHANKBEMOQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-7(8)3-5(4-7)6(10)9-2/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide?
3-fluoro-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 145.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 135178556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).