3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine

C10H18FNO — CID 112563932

IUPAC3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESNC1CC(F)(CC2CCOCC2)C1
InChIInChI=1S/C10H18FNO/c11-10(6-9(12)7-10)5-8-1-3-13-4-2-8/h8-9H,1-7,12H2
InChIKeyLKBJUDSMCDTGAJ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.63
Rot. Bonds2

About 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine

3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine (PubChem CID 112563932) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine
PubChem CID112563932
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine
SMILESNC1CC(F)(CC2CCOCC2)C1
InChIInChI=1S/C10H18FNO/c11-10(6-9(12)7-10)5-8-1-3-13-4-2-8/h8-9H,1-7,12H2
InChIKeyLKBJUDSMCDTGAJ-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine (CID 112563932) is 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine is NC1CC(F)(CC2CCOCC2)C1.
What is the InChIKey of 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is LKBJUDSMCDTGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-10(6-9(12)7-10)5-8-1-3-13-4-2-8/h8-9H,1-7,12H2.
What are the key properties of 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine?
3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 187.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 112563932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).