3-(3-aminopropoxy)-2,2-difluoropropan-1-ol

C6H13F2NO2 — CID 149211410

IUPAC3-(3-aminopropoxy)-2,2-difluoropropan-1-ol
SMILESNCCCOCC(F)(F)CO
InChIInChI=1S/C6H13F2NO2/c7-6(8,4-10)5-11-3-1-2-9/h10H,1-5,9H2
InChIKeyXGQSPCDDPNLNMG-UHFFFAOYSA-N
MW169.17 g/mol
LogP-0.02
Rot. Bonds6

About 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol

3-(3-aminopropoxy)-2,2-difluoropropan-1-ol (PubChem CID 149211410) has the molecular formula C6H13F2NO2 and a molecular weight of 169.17 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(3-aminopropoxy)-2,2-difluoropropan-1-ol
PubChem CID149211410
Molecular FormulaC6H13F2NO2
Molecular Weight169.17 g/mol
Exact Mass169.09
IUPAC Name3-(3-aminopropoxy)-2,2-difluoropropan-1-ol
SMILESNCCCOCC(F)(F)CO
InChIInChI=1S/C6H13F2NO2/c7-6(8,4-10)5-11-3-1-2-9/h10H,1-5,9H2
InChIKeyXGQSPCDDPNLNMG-UHFFFAOYSA-N
XLogP-0.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 5-0.02
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 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol (CID 149211410) is 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol is NCCCOCC(F)(F)CO.
What is the InChIKey of 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol?
The InChIKey is XGQSPCDDPNLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2/c7-6(8,4-10)5-11-3-1-2-9/h10H,1-5,9H2.
What are the key properties of 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol?
3-(3-aminopropoxy)-2,2-difluoropropan-1-ol has a molecular weight of 169.17 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 149211410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).