(3-fluoro-3-methylcyclobutyl)methanamine

C6H12FN — CID 115011081

IUPAC(3-fluoro-3-methylcyclobutyl)methanamine
SMILESCC1(F)CC(CN)C1
InChIInChI=1S/C6H12FN/c1-6(7)2-5(3-6)4-8/h5H,2-4,8H2,1H3
InChIKeyAJELTLNLCYNWKN-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.08
Rot. Bonds1

About (3-fluoro-3-methylcyclobutyl)methanamine

(3-fluoro-3-methylcyclobutyl)methanamine (PubChem CID 115011081) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (3-fluoro-3-methylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-3-methylcyclobutyl)methanamine
PubChem CID115011081
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(3-fluoro-3-methylcyclobutyl)methanamine
SMILESCC1(F)CC(CN)C1
InChIInChI=1S/C6H12FN/c1-6(7)2-5(3-6)4-8/h5H,2-4,8H2,1H3
InChIKeyAJELTLNLCYNWKN-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-methylcyclobutyl)methanamine?
The IUPAC name of (3-fluoro-3-methylcyclobutyl)methanamine (CID 115011081) is (3-fluoro-3-methylcyclobutyl)methanamine.
What is the SMILES notation for (3-fluoro-3-methylcyclobutyl)methanamine?
The canonical SMILES for (3-fluoro-3-methylcyclobutyl)methanamine is CC1(F)CC(CN)C1.
What is the InChIKey of (3-fluoro-3-methylcyclobutyl)methanamine?
The InChIKey is AJELTLNLCYNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-6(7)2-5(3-6)4-8/h5H,2-4,8H2,1H3.
What are the key properties of (3-fluoro-3-methylcyclobutyl)methanamine?
(3-fluoro-3-methylcyclobutyl)methanamine has a molecular weight of 117.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylcyclobutyl)methanamine is sourced from PubChem (CID 115011081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).