2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol

C7H14FNO — CID 105429069

IUPAC2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(F)CO)C1
InChIInChI=1S/C7H14FNO/c1-9-3-2-6(4-9)7(8)5-10/h6-7,10H,2-5H2,1H3
InChIKeyGVESDEBFYHUAML-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.27
Rot. Bonds2

About 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol

2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 105429069) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID105429069
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(F)CO)C1
InChIInChI=1S/C7H14FNO/c1-9-3-2-6(4-9)7(8)5-10/h6-7,10H,2-5H2,1H3
InChIKeyGVESDEBFYHUAML-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpyrrolidin-3-yl)ethan-1-ol
CID 21191123
{3-Methyl-3-azabicyclo[3.1.0]hexan-6-yl}methanol
CID 67269927
rac-[(1R,5S,6R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 59540724
2-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769752
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
3-(Fluoromethyl)-1-methylpyrrolidin-2-ol
CID 130392099
[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
CID 168881104
[(2S)-1-methyl-3-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 168881577
1-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
CID 178035011
1-(3-Fluoro-1-methylpyrrolidin-3-yl)ethanol
CID 178035073
1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
CID 178035081
[1-(2-Fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol (CID 105429069) is 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC(C(F)CO)C1.
What is the InChIKey of 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is GVESDEBFYHUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-3-2-6(4-9)7(8)5-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 147.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 105429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).