3-cyclobutyl-3-fluoro-2-methylbutan-2-amine

C9H18FN — CID 105431319

IUPAC3-cyclobutyl-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(C)(F)C1CCC1
InChIInChI=1S/C9H18FN/c1-8(2,11)9(3,10)7-5-4-6-7/h7H,4-6,11H2,1-3H3
InChIKeyNVKKVFIELQYLFK-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.25
Rot. Bonds2

About 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine

3-cyclobutyl-3-fluoro-2-methylbutan-2-amine (PubChem CID 105431319) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name3-cyclobutyl-3-fluoro-2-methylbutan-2-amine
PubChem CID105431319
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-cyclobutyl-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(C)(F)C1CCC1
InChIInChI=1S/C9H18FN/c1-8(2,11)9(3,10)7-5-4-6-7/h7H,4-6,11H2,1-3H3
InChIKeyNVKKVFIELQYLFK-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine?
The IUPAC name of 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine (CID 105431319) is 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine is CC(C)(N)C(C)(F)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine?
The InChIKey is NVKKVFIELQYLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2,11)9(3,10)7-5-4-6-7/h7H,4-6,11H2,1-3H3.
What are the key properties of 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine?
3-cyclobutyl-3-fluoro-2-methylbutan-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 105431319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).