(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol

C8H19FN2O — CID 163710568

IUPAC(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol
SMILESC[C@@H](O)[C@@H](F)C[C@@H](N)CN(C)C
InChIInChI=1S/C8H19FN2O/c1-6(12)8(9)4-7(10)5-11(2)3/h6-8,12H,4-5,10H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyKIWBPIFXKIBTCU-PRJMDXOYSA-N
MW178.25 g/mol
LogP-0.02
Rot. Bonds5

About (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol

(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol (PubChem CID 163710568) has the molecular formula C8H19FN2O and a molecular weight of 178.25 g/mol. Its IUPAC name is (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol
PubChem CID163710568
Molecular FormulaC8H19FN2O
Molecular Weight178.25 g/mol
Exact Mass178.15
IUPAC Name(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol
SMILESC[C@@H](O)[C@@H](F)C[C@@H](N)CN(C)C
InChIInChI=1S/C8H19FN2O/c1-6(12)8(9)4-7(10)5-11(2)3/h6-8,12H,4-5,10H2,1-3H3/t6-,7-,8+/m1/s1
InChIKeyKIWBPIFXKIBTCU-PRJMDXOYSA-N
XLogP-0.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol?
The IUPAC name of (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol (CID 163710568) is (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol.
What is the SMILES notation for (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol?
The canonical SMILES for (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol is C[C@@H](O)[C@@H](F)C[C@@H](N)CN(C)C.
What is the InChIKey of (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol?
The InChIKey is KIWBPIFXKIBTCU-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H19FN2O/c1-6(12)8(9)4-7(10)5-11(2)3/h6-8,12H,4-5,10H2,1-3H3/t6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol?
(2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol has a molecular weight of 178.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-amino-6-(dimethylamino)-3-fluorohexan-2-ol is sourced from PubChem (CID 163710568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).