(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol

C6H12FNO2 — CID 130751543

IUPAC(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCCF
InChIInChI=1S/C6H12FNO2/c7-1-2-8-5-3-10-4-6(5)9/h5-6,8-9H,1-4H2/t5-,6-/m1/s1
InChIKeyXMOFAEGZZDRBMF-PHDIDXHHSA-N
MW149.16 g/mol
LogP-0.69
Rot. Bonds3

About (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol

(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol (PubChem CID 130751543) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol
PubChem CID130751543
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCCF
InChIInChI=1S/C6H12FNO2/c7-1-2-8-5-3-10-4-6(5)9/h5-6,8-9H,1-4H2/t5-,6-/m1/s1
InChIKeyXMOFAEGZZDRBMF-PHDIDXHHSA-N
XLogP-0.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(methylamino)oxolan-3-ol
CID 89143979
CID 58681844
CID 58681844
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CID 59892715
4-(2,2-Difluoroethoxy)pyrrolidin-3-ol
CID 82004167
(3R,4R)-4-(2,2,2-trifluoroethoxy)pyrrolidin-3-ol
CID 133631654
(4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 139346082
(3R,4R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 139364401
[(2R,5S)-5-(2,2-difluoroethyl)morpholin-2-yl]methanol
CID 141395737
(3R)-4-(2,2-difluoroethoxy)pyrrolidin-3-ol
CID 167180013
4-[[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]amino]butan-1-ol
CID 174447924
CID 21040980
CID 21040980
4-(2,2,2-Trifluoroethylamino)oxolan-3-ol
CID 60900757

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol (CID 130751543) is (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol is O[C@@H]1COC[C@H]1NCCF.
What is the InChIKey of (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol?
The InChIKey is XMOFAEGZZDRBMF-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12FNO2/c7-1-2-8-5-3-10-4-6(5)9/h5-6,8-9H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol?
(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol has a molecular weight of 149.16 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol is sourced from PubChem (CID 130751543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).