2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine

C9H17F2NO2 — CID 165467203

IUPAC2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine
SMILESNCC(F)(F)COCC1CCCCO1
InChIInChI=1S/C9H17F2NO2/c10-9(11,6-12)7-13-5-8-3-1-2-4-14-8/h8H,1-7,12H2
InChIKeyHFYKNNLUKNTOJM-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.17
Rot. Bonds5

About 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine

2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine (PubChem CID 165467203) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine
PubChem CID165467203
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine
SMILESNCC(F)(F)COCC1CCCCO1
InChIInChI=1S/C9H17F2NO2/c10-9(11,6-12)7-13-5-8-3-1-2-4-14-8/h8H,1-7,12H2
InChIKeyHFYKNNLUKNTOJM-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine (CID 165467203) is 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine is NCC(F)(F)COCC1CCCCO1.
What is the InChIKey of 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine?
The InChIKey is HFYKNNLUKNTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c10-9(11,6-12)7-13-5-8-3-1-2-4-14-8/h8H,1-7,12H2.
What are the key properties of 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine?
2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine has a molecular weight of 209.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(oxan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 165467203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).