N-(1,1-difluoropropoxymethyl)-N-methylethanamine

C7H15F2NO — CID 88886756

IUPACN-(1,1-difluoropropoxymethyl)-N-methylethanamine
SMILESCCN(C)COC(F)(F)CC
InChIInChI=1S/C7H15F2NO/c1-4-7(8,9)11-6-10(3)5-2/h4-6H2,1-3H3
InChIKeyZZOKBNMHBXJCJY-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.91
Rot. Bonds5

About N-(1,1-difluoropropoxymethyl)-N-methylethanamine

N-(1,1-difluoropropoxymethyl)-N-methylethanamine (PubChem CID 88886756) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is N-(1,1-difluoropropoxymethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1,1-difluoropropoxymethyl)-N-methylethanamine
PubChem CID88886756
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC NameN-(1,1-difluoropropoxymethyl)-N-methylethanamine
SMILESCCN(C)COC(F)(F)CC
InChIInChI=1S/C7H15F2NO/c1-4-7(8,9)11-6-10(3)5-2/h4-6H2,1-3H3
InChIKeyZZOKBNMHBXJCJY-UHFFFAOYSA-N
XLogP1.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropoxymethyl)-N-methylethanamine?
The IUPAC name of N-(1,1-difluoropropoxymethyl)-N-methylethanamine (CID 88886756) is N-(1,1-difluoropropoxymethyl)-N-methylethanamine.
What is the SMILES notation for N-(1,1-difluoropropoxymethyl)-N-methylethanamine?
The canonical SMILES for N-(1,1-difluoropropoxymethyl)-N-methylethanamine is CCN(C)COC(F)(F)CC.
What is the InChIKey of N-(1,1-difluoropropoxymethyl)-N-methylethanamine?
The InChIKey is ZZOKBNMHBXJCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-4-7(8,9)11-6-10(3)5-2/h4-6H2,1-3H3.
What are the key properties of N-(1,1-difluoropropoxymethyl)-N-methylethanamine?
N-(1,1-difluoropropoxymethyl)-N-methylethanamine has a molecular weight of 167.20 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropoxymethyl)-N-methylethanamine is sourced from PubChem (CID 88886756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).