(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane

C10H22F2N2O2 — CID 167667741

IUPAC(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane
SMILESCC.CO[C@H]1OC(C(C)N)C(F)C(F)[C@H]1N
InChIInChI=1S/C8H16F2N2O2.C2H6/c1-3(11)7-5(10)4(9)6(12)8(13-2)14-7;1-2/h3-8H,11-12H2,1-2H3;1-2H3/t3?,4?,5?,6-,7?,8+;/m1./s1
InChIKeySWPUSWRREACALP-FLYMKTNDSA-N
MW240.29 g/mol
LogP0.73
Rot. Bonds2

About (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane

(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane (PubChem CID 167667741) has the molecular formula C10H22F2N2O2 and a molecular weight of 240.29 g/mol. Its IUPAC name is (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane.

Molecular Properties

Compound Name(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane
PubChem CID167667741
Molecular FormulaC10H22F2N2O2
Molecular Weight240.29 g/mol
Exact Mass240.16
IUPAC Name(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane
SMILESCC.CO[C@H]1OC(C(C)N)C(F)C(F)[C@H]1N
InChIInChI=1S/C8H16F2N2O2.C2H6/c1-3(11)7-5(10)4(9)6(12)8(13-2)14-7;1-2/h3-8H,11-12H2,1-2H3;1-2H3/t3?,4?,5?,6-,7?,8+;/m1./s1
InChIKeySWPUSWRREACALP-FLYMKTNDSA-N
XLogP0.73
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5S)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775725
(2S,3S,4S,5R)-3,4-difluoro-2,5-di(propan-2-yl)oxolane
CID 164775785
(2R,3S,5R)-2-[(1S)-1-aminoethyl]-5-methoxyoxolan-3-amine
CID 130949398
(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 122228900
2,4-di(propan-2-yl)oxetan-3-amine
CID 135394203
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
1-(3-methoxyoxiran-2-yl)-N,2-dimethylpropan-1-amine
CID 91055081
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
CID 57272442

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane?
The IUPAC name of (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane (CID 167667741) is (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane.
What is the SMILES notation for (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane?
The canonical SMILES for (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane is CC.CO[C@H]1OC(C(C)N)C(F)C(F)[C@H]1N.
What is the InChIKey of (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane?
The InChIKey is SWPUSWRREACALP-FLYMKTNDSA-N. The full InChI is InChI=1S/C8H16F2N2O2.C2H6/c1-3(11)7-5(10)4(9)6(12)8(13-2)14-7;1-2/h3-8H,11-12H2,1-2H3;1-2H3/t3?,4?,5?,6-,7?,8+;/m1./s1.
What are the key properties of (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane?
(2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane has a molecular weight of 240.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-6-(1-aminoethyl)-4,5-difluoro-2-methoxyoxan-3-amine;ethane is sourced from PubChem (CID 167667741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).