ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol

C9H20FNO — CID 164922093

IUPACethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
SMILESCC.OCC1CCCN1CCF
InChIInChI=1S/C7H14FNO.C2H6/c8-3-5-9-4-1-2-7(9)6-10;1-2/h7,10H,1-6H2;1-2H3
InChIKeyFKDMBFWVCDMDOS-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.44
Rot. Bonds3

About ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol

ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol (PubChem CID 164922093) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Nameethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
PubChem CID164922093
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Nameethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
SMILESCC.OCC1CCCN1CCF
InChIInChI=1S/C7H14FNO.C2H6/c8-3-5-9-4-1-2-7(9)6-10;1-2/h7,10H,1-6H2;1-2H3
InChIKeyFKDMBFWVCDMDOS-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 103857733
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane
CID 165013816
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587

Frequently Asked Questions

What is the IUPAC name of ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol (CID 164922093) is ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol is CC.OCC1CCCN1CCF.
What is the InChIKey of ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The InChIKey is FKDMBFWVCDMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO.C2H6/c8-3-5-9-4-1-2-7(9)6-10;1-2/h7,10H,1-6H2;1-2H3.
What are the key properties of ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol has a molecular weight of 177.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 164922093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).