N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine

C6H12FNO — CID 134447413

IUPACN-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
SMILESCC1(CNCF)COC1
InChIInChI=1S/C6H12FNO/c1-6(2-8-5-7)3-9-4-6/h8H,2-5H2,1H3
InChIKeyAMNZSXSGCIZXGM-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.54
Rot. Bonds3

About N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine

N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine (PubChem CID 134447413) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine.

Molecular Properties

Compound NameN-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
PubChem CID134447413
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
SMILESCC1(CNCF)COC1
InChIInChI=1S/C6H12FNO/c1-6(2-8-5-7)3-9-4-6/h8H,2-5H2,1H3
InChIKeyAMNZSXSGCIZXGM-UHFFFAOYSA-N
XLogP0.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine?
The IUPAC name of N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine (CID 134447413) is N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine.
What is the SMILES notation for N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine?
The canonical SMILES for N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine is CC1(CNCF)COC1.
What is the InChIKey of N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine?
The InChIKey is AMNZSXSGCIZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(2-8-5-7)3-9-4-6/h8H,2-5H2,1H3.
What are the key properties of N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine?
N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine has a molecular weight of 133.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine is sourced from PubChem (CID 134447413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).