[3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine

C7H14FNO — CID 168857240

IUPAC[3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine
SMILESCOCC1(F)CC(CN)C1
InChIInChI=1S/C7H14FNO/c1-10-5-7(8)2-6(3-7)4-9/h6H,2-5,9H2,1H3
InChIKeyGPVFFEYRTLWUDF-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.71
Rot. Bonds3

About [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine

[3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine (PubChem CID 168857240) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine
PubChem CID168857240
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name[3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine
SMILESCOCC1(F)CC(CN)C1
InChIInChI=1S/C7H14FNO/c1-10-5-7(8)2-6(3-7)4-9/h6H,2-5,9H2,1H3
InChIKeyGPVFFEYRTLWUDF-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine?
The IUPAC name of [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine (CID 168857240) is [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine?
The canonical SMILES for [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine is COCC1(F)CC(CN)C1.
What is the InChIKey of [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine?
The InChIKey is GPVFFEYRTLWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-10-5-7(8)2-6(3-7)4-9/h6H,2-5,9H2,1H3.
What are the key properties of [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine?
[3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine has a molecular weight of 147.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-(methoxymethyl)cyclobutyl]methanamine is sourced from PubChem (CID 168857240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).