1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine

C6H11F2NO — CID 150171638

IUPAC1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine
SMILESCC1OCC1CNC(F)F
InChIInChI=1S/C6H11F2NO/c1-4-5(3-10-4)2-9-6(7)8/h4-6,9H,2-3H2,1H3
InChIKeyFJNYWCUPFIVILN-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.83
Rot. Bonds3

About 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine

1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine (PubChem CID 150171638) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine
PubChem CID150171638
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine
SMILESCC1OCC1CNC(F)F
InChIInChI=1S/C6H11F2NO/c1-4-5(3-10-4)2-9-6(7)8/h4-6,9H,2-3H2,1H3
InChIKeyFJNYWCUPFIVILN-UHFFFAOYSA-N
XLogP0.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.83
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 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine (CID 150171638) is 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine is CC1OCC1CNC(F)F.
What is the InChIKey of 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is FJNYWCUPFIVILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-4-5(3-10-4)2-9-6(7)8/h4-6,9H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine?
1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine has a molecular weight of 151.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(2-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 150171638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).