ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol

C11H24FNO2 — CID 166157690

IUPACethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol
SMILESCC.CF.OC[C@@H]1CCN(C2COC2)C1
InChIInChI=1S/C8H15NO2.C2H6.CH3F/c10-4-7-1-2-9(3-7)8-5-11-6-8;2*1-2/h7-8,10H,1-6H2;1-2H3;1H3/t7-;;/m1../s1
InChIKeyYAWBIXOAPHKRSC-XCUBXKJBSA-N
MW221.32 g/mol
LogP1.31
Rot. Bonds2

About ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol

ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol (PubChem CID 166157690) has the molecular formula C11H24FNO2 and a molecular weight of 221.32 g/mol. Its IUPAC name is ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Nameethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol
PubChem CID166157690
Molecular FormulaC11H24FNO2
Molecular Weight221.32 g/mol
Exact Mass221.18
IUPAC Nameethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol
SMILESCC.CF.OC[C@@H]1CCN(C2COC2)C1
InChIInChI=1S/C8H15NO2.C2H6.CH3F/c10-4-7-1-2-9(3-7)8-5-11-6-8;2*1-2/h7-8,10H,1-6H2;1-2H3;1H3/t7-;;/m1../s1
InChIKeyYAWBIXOAPHKRSC-XCUBXKJBSA-N
XLogP1.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol (CID 166157690) is ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol is CC.CF.OC[C@@H]1CCN(C2COC2)C1.
What is the InChIKey of ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol?
The InChIKey is YAWBIXOAPHKRSC-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6.CH3F/c10-4-7-1-2-9(3-7)8-5-11-6-8;2*1-2/h7-8,10H,1-6H2;1-2H3;1H3/t7-;;/m1../s1.
What are the key properties of ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol?
ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 166157690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).