2-(3-amino-6,6-difluoroheptoxy)ethanol

C9H19F2NO2 — CID 163278111

IUPAC2-(3-amino-6,6-difluoroheptoxy)ethanol
SMILESCC(F)(F)CCC(N)CCOCCO
InChIInChI=1S/C9H19F2NO2/c1-9(10,11)4-2-8(12)3-6-14-7-5-13/h8,13H,2-7,12H2,1H3
InChIKeyDQWNMASHOCWSAK-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.15
Rot. Bonds8

About 2-(3-amino-6,6-difluoroheptoxy)ethanol

2-(3-amino-6,6-difluoroheptoxy)ethanol (PubChem CID 163278111) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-(3-amino-6,6-difluoroheptoxy)ethanol.

Molecular Properties

Compound Name2-(3-amino-6,6-difluoroheptoxy)ethanol
PubChem CID163278111
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name2-(3-amino-6,6-difluoroheptoxy)ethanol
SMILESCC(F)(F)CCC(N)CCOCCO
InChIInChI=1S/C9H19F2NO2/c1-9(10,11)4-2-8(12)3-6-14-7-5-13/h8,13H,2-7,12H2,1H3
InChIKeyDQWNMASHOCWSAK-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-amino-6,6-difluoroheptoxy)ethanol?
The IUPAC name of 2-(3-amino-6,6-difluoroheptoxy)ethanol (CID 163278111) is 2-(3-amino-6,6-difluoroheptoxy)ethanol.
What is the SMILES notation for 2-(3-amino-6,6-difluoroheptoxy)ethanol?
The canonical SMILES for 2-(3-amino-6,6-difluoroheptoxy)ethanol is CC(F)(F)CCC(N)CCOCCO.
What is the InChIKey of 2-(3-amino-6,6-difluoroheptoxy)ethanol?
The InChIKey is DQWNMASHOCWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-9(10,11)4-2-8(12)3-6-14-7-5-13/h8,13H,2-7,12H2,1H3.
What are the key properties of 2-(3-amino-6,6-difluoroheptoxy)ethanol?
2-(3-amino-6,6-difluoroheptoxy)ethanol has a molecular weight of 211.25 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6,6-difluoroheptoxy)ethanol is sourced from PubChem (CID 163278111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).