2-(2-aminoethoxy)-5-fluorooxane-3,4-diol

C7H14FNO4 — CID 145030712

IUPAC2-(2-aminoethoxy)-5-fluorooxane-3,4-diol
SMILESNCCOC1OCC(F)C(O)C1O
InChIInChI=1S/C7H14FNO4/c8-4-3-13-7(12-2-1-9)6(11)5(4)10/h4-7,10-11H,1-3,9H2
InChIKeyHKAWXGIJWYWRSC-UHFFFAOYSA-N
MW195.19 g/mol
LogP-1.62
Rot. Bonds3

About 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol

2-(2-aminoethoxy)-5-fluorooxane-3,4-diol (PubChem CID 145030712) has the molecular formula C7H14FNO4 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-fluorooxane-3,4-diol
PubChem CID145030712
Molecular FormulaC7H14FNO4
Molecular Weight195.19 g/mol
Exact Mass195.09
IUPAC Name2-(2-aminoethoxy)-5-fluorooxane-3,4-diol
SMILESNCCOC1OCC(F)C(O)C1O
InChIInChI=1S/C7H14FNO4/c8-4-3-13-7(12-2-1-9)6(11)5(4)10/h4-7,10-11H,1-3,9H2
InChIKeyHKAWXGIJWYWRSC-UHFFFAOYSA-N
XLogP-1.62
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
CID 142369559
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(2S,3R,4S,5R,6R)-2-(2-aminoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69399577
(2R,5S)-2-(2-aminoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70977781
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
(2S,3R,4S,5R)-2-heptoxyoxane-3,4,5-triol
CID 70514431
2-[(3S,4S,6S)-6-(2-aminoethoxy)-3,4,5-trihydroxyoxan-2-yl]ethylphosphonic acid
CID 140910677
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-(2-aminoethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118981773
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol?
The IUPAC name of 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol (CID 145030712) is 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol.
What is the SMILES notation for 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol?
The canonical SMILES for 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol is NCCOC1OCC(F)C(O)C1O.
What is the InChIKey of 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol?
The InChIKey is HKAWXGIJWYWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO4/c8-4-3-13-7(12-2-1-9)6(11)5(4)10/h4-7,10-11H,1-3,9H2.
What are the key properties of 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol?
2-(2-aminoethoxy)-5-fluorooxane-3,4-diol has a molecular weight of 195.19 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-fluorooxane-3,4-diol is sourced from PubChem (CID 145030712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).