ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol

C8H18FNO — CID 177317918

IUPACethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
SMILESCC.CN1CC(O)C(C)(F)C1
InChIInChI=1S/C6H12FNO.C2H6/c1-6(7)4-8(2)3-5(6)9;1-2/h5,9H,3-4H2,1-2H3;1-2H3
InChIKeyJDPSWQSJUUSXMG-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds

About ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol

ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol (PubChem CID 177317918) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
PubChem CID177317918
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Nameethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
SMILESCC.CN1CC(O)C(C)(F)C1
InChIInChI=1S/C6H12FNO.C2H6/c1-6(7)4-8(2)3-5(6)9;1-2/h5,9H,3-4H2,1-2H3;1-2H3
InChIKeyJDPSWQSJUUSXMG-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol?
The IUPAC name of ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol (CID 177317918) is ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol is CC.CN1CC(O)C(C)(F)C1.
What is the InChIKey of ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol?
The InChIKey is JDPSWQSJUUSXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO.C2H6/c1-6(7)4-8(2)3-5(6)9;1-2/h5,9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol?
ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol has a molecular weight of 163.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 177317918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).