2-(4,4-difluorooxan-3-yl)ethanamine

C7H13F2NO — CID 84764908

IUPAC2-(4,4-difluorooxan-3-yl)ethanamine
SMILESNCCC1COCCC1(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)2-4-11-5-6(7)1-3-10/h6H,1-5,10H2
InChIKeyIWJQBUMTJUOXAV-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds2

About 2-(4,4-difluorooxan-3-yl)ethanamine

2-(4,4-difluorooxan-3-yl)ethanamine (PubChem CID 84764908) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(4,4-difluorooxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluorooxan-3-yl)ethanamine
PubChem CID84764908
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-(4,4-difluorooxan-3-yl)ethanamine
SMILESNCCC1COCCC1(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)2-4-11-5-6(7)1-3-10/h6H,1-5,10H2
InChIKeyIWJQBUMTJUOXAV-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-(4,4-difluorooxan-3-yl)ethanol
CID 165442667
2-(4,4-difluorooxolan-3-yl)ethanamine
CID 84763242
2-[(1R)-2,2-difluorocyclopropyl]ethanamine
CID 97296634
2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
CID 83908267
2-(7-oxaspiro[2.6]nonan-2-yl)ethanamine
CID 83827138
2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
CID 84772418
2-(oxolan-3-yl)ethanamine
CID 22355254
3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
2-[(2R)-1,4-dioxan-2-yl]ethanamine
CID 94920257
2-(2-aminoethyl)cyclobutane-1,1-diamine
CID 19101489
(4-methyl-6-oxaspiro[2.5]octan-2-yl)methanamine
CID 130491521
(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine
CID 97289961

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorooxan-3-yl)ethanamine?
The IUPAC name of 2-(4,4-difluorooxan-3-yl)ethanamine (CID 84764908) is 2-(4,4-difluorooxan-3-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluorooxan-3-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluorooxan-3-yl)ethanamine is NCCC1COCCC1(F)F.
What is the InChIKey of 2-(4,4-difluorooxan-3-yl)ethanamine?
The InChIKey is IWJQBUMTJUOXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)2-4-11-5-6(7)1-3-10/h6H,1-5,10H2.
What are the key properties of 2-(4,4-difluorooxan-3-yl)ethanamine?
2-(4,4-difluorooxan-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-(4,4-difluorooxan-3-yl)ethanamine is sourced from PubChem (CID 84764908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).