2-(4,4-difluoropentoxy)-2-methylpropan-1-amine

C9H19F2NO — CID 91414179

IUPAC2-(4,4-difluoropentoxy)-2-methylpropan-1-amine
SMILESCC(F)(F)CCCOC(C)(C)CN
InChIInChI=1S/C9H19F2NO/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-7,12H2,1-3H3
InChIKeyBGLMPWZBWRXSBX-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.18
Rot. Bonds6

About 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine

2-(4,4-difluoropentoxy)-2-methylpropan-1-amine (PubChem CID 91414179) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-difluoropentoxy)-2-methylpropan-1-amine
PubChem CID91414179
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2-(4,4-difluoropentoxy)-2-methylpropan-1-amine
SMILESCC(F)(F)CCCOC(C)(C)CN
InChIInChI=1S/C9H19F2NO/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-7,12H2,1-3H3
InChIKeyBGLMPWZBWRXSBX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine?
The IUPAC name of 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine (CID 91414179) is 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine is CC(F)(F)CCCOC(C)(C)CN.
What is the InChIKey of 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine?
The InChIKey is BGLMPWZBWRXSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2,7-12)13-6-4-5-9(3,10)11/h4-7,12H2,1-3H3.
What are the key properties of 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine?
2-(4,4-difluoropentoxy)-2-methylpropan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropentoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 91414179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).