1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol

C7H14FNO — CID 178035081

IUPAC1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
SMILESCC(O)[C@]1(F)CCN(C)C1
InChIInChI=1S/C7H14FNO/c1-6(10)7(8)3-4-9(2)5-7/h6,10H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyISJXNRCSGHPVNG-MLWJPKLSSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds1

About 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol

1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol (PubChem CID 178035081) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
PubChem CID178035081
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol
SMILESCC(O)[C@]1(F)CCN(C)C1
InChIInChI=1S/C7H14FNO/c1-6(10)7(8)3-4-9(2)5-7/h6,10H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyISJXNRCSGHPVNG-MLWJPKLSSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-(1-hydroxyethyl)pyrrolidine-1-carboxylic acid
CID 21979034
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
CID 66815390
1-(1-Tert-butylpyrrolidin-3-yl)-2-fluoroethanol
CID 66815505
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
1-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769747
(3-Fluoro-1-methyl-pyrrolidin-3-yl)methanol
CID 84020607
1-(3-Fluoropyrrolidin-3-yl)ethan-1-ol
CID 90732399
[cis-4-Fluoro-1-methyl-pyrrolidin-3-yl]methanol
CID 105530050
((3R,4S)-4-Fluoro-1-methylpyrrolidin-3-yl)methanol
CID 105531136
1-(1-Tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
CID 118880823

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol (CID 178035081) is 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol is CC(O)[C@]1(F)CCN(C)C1.
What is the InChIKey of 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol?
The InChIKey is ISJXNRCSGHPVNG-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(10)7(8)3-4-9(2)5-7/h6,10H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol?
1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluoro-1-methylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 178035081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).