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

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Related Compounds

(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639
(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
3-fluoro-1,3-dimethylazetidine
CID 89296536
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
1,3-dimethyl-3-azabicyclo[3.1.1]heptane;ethane
CID 168882588
(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 166167558
(3S,4S)-3-fluoro-3-methyl-1-(2-methylpropyl)piperidin-4-ol
CID 176977070
(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885

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).