1-(3-fluorocyclobutyl)-N-methylmethanamine

C6H12FN — CID 105430010

IUPAC1-(3-fluorocyclobutyl)-N-methylmethanamine
SMILESCNCC1CC(F)C1
InChIInChI=1S/C6H12FN/c1-8-4-5-2-6(7)3-5/h5-6,8H,2-4H2,1H3
InChIKeyIFFKIAULRGXFGB-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.95
Rot. Bonds2

About 1-(3-fluorocyclobutyl)-N-methylmethanamine

1-(3-fluorocyclobutyl)-N-methylmethanamine (PubChem CID 105430010) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-(3-fluorocyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluorocyclobutyl)-N-methylmethanamine
PubChem CID105430010
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-(3-fluorocyclobutyl)-N-methylmethanamine
SMILESCNCC1CC(F)C1
InChIInChI=1S/C6H12FN/c1-8-4-5-2-6(7)3-5/h5-6,8H,2-4H2,1H3
InChIKeyIFFKIAULRGXFGB-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorocyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluorocyclobutyl)-N-methylmethanamine (CID 105430010) is 1-(3-fluorocyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluorocyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluorocyclobutyl)-N-methylmethanamine is CNCC1CC(F)C1.
What is the InChIKey of 1-(3-fluorocyclobutyl)-N-methylmethanamine?
The InChIKey is IFFKIAULRGXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-8-4-5-2-6(7)3-5/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-(3-fluorocyclobutyl)-N-methylmethanamine?
1-(3-fluorocyclobutyl)-N-methylmethanamine has a molecular weight of 117.17 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorocyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 105430010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).