3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol

C6H11F4NO2 — CID 147227258

IUPAC3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol
SMILESNCC(F)(F)COCC(F)(F)CO
InChIInChI=1S/C6H11F4NO2/c7-5(8,1-11)3-13-4-6(9,10)2-12/h12H,1-4,11H2
InChIKeyCIFKRRRDEQMYIM-UHFFFAOYSA-N
MW205.15 g/mol
LogP0.22
Rot. Bonds6

About 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol

3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol (PubChem CID 147227258) has the molecular formula C6H11F4NO2 and a molecular weight of 205.15 g/mol. Its IUPAC name is 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol
PubChem CID147227258
Molecular FormulaC6H11F4NO2
Molecular Weight205.15 g/mol
Exact Mass205.07
IUPAC Name3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol
SMILESNCC(F)(F)COCC(F)(F)CO
InChIInChI=1S/C6H11F4NO2/c7-5(8,1-11)3-13-4-6(9,10)2-12/h12H,1-4,11H2
InChIKeyCIFKRRRDEQMYIM-UHFFFAOYSA-N
XLogP0.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol (CID 147227258) is 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol is NCC(F)(F)COCC(F)(F)CO.
What is the InChIKey of 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol?
The InChIKey is CIFKRRRDEQMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4NO2/c7-5(8,1-11)3-13-4-6(9,10)2-12/h12H,1-4,11H2.
What are the key properties of 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol?
3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol has a molecular weight of 205.15 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 147227258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).