2,2-difluoro-2-(oxan-3-yl)ethanamine

C7H13F2NO — CID 105432618

IUPAC2,2-difluoro-2-(oxan-3-yl)ethanamine
SMILESNCC(F)(F)C1CCCOC1
InChIInChI=1S/C7H13F2NO/c8-7(9,5-10)6-2-1-3-11-4-6/h6H,1-5,10H2
InChIKeyRDPGZNUCFZCQCG-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds2

About 2,2-difluoro-2-(oxan-3-yl)ethanamine

2,2-difluoro-2-(oxan-3-yl)ethanamine (PubChem CID 105432618) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(oxan-3-yl)ethanamine
PubChem CID105432618
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-2-(oxan-3-yl)ethanamine
SMILESNCC(F)(F)C1CCCOC1
InChIInChI=1S/C7H13F2NO/c8-7(9,5-10)6-2-1-3-11-4-6/h6H,1-5,10H2
InChIKeyRDPGZNUCFZCQCG-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxan-3-yl)ethan-1-amine
CID 19101440
2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
2,2-Difluoro-2-(tetrahydro-2H-pyran-4-yl)ethan-1-amine
CID 57429865
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine
CID 170775071
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62505373
2-[2-(2,2,2-Trifluoroethoxy)ethyl]pentan-1-amine
CID 62505560
[4-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-4-yl]methanamine
CID 62906601
3,3,3-trifluoro-1-(tetrahydro-2H-pyran-4-yl)propan-1-amine
CID 63935479
2,2-Difluoro-1-(oxan-3-yl)ethan-1-amine
CID 80604759
3-(2,2,2-Trifluoroethyl)oxan-4-amine
CID 82407361
2-Fluoro-3-(oxan-4-yl)propan-1-amine
CID 84021214
2-(3-Fluorooxan-3-yl)ethanamine
CID 84731221

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(oxan-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(oxan-3-yl)ethanamine (CID 105432618) is 2,2-difluoro-2-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(oxan-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(oxan-3-yl)ethanamine is NCC(F)(F)C1CCCOC1.
What is the InChIKey of 2,2-difluoro-2-(oxan-3-yl)ethanamine?
The InChIKey is RDPGZNUCFZCQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9,5-10)6-2-1-3-11-4-6/h6H,1-5,10H2.
What are the key properties of 2,2-difluoro-2-(oxan-3-yl)ethanamine?
2,2-difluoro-2-(oxan-3-yl)ethanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(oxan-3-yl)ethanamine is sourced from PubChem (CID 105432618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).