2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol

C6H12FNO — CID 156538387

IUPAC2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol
SMILESOCC[C@@]1(F)CCNC1
InChIInChI=1S/C6H12FNO/c7-6(2-4-9)1-3-8-5-6/h8-9H,1-5H2/t6-/m0/s1
InChIKeyPLCAQPSBPZMFQK-LURJTMIESA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds2

About 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol

2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol (PubChem CID 156538387) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol
PubChem CID156538387
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol
SMILESOCC[C@@]1(F)CCNC1
InChIInChI=1S/C6H12FNO/c7-6(2-4-9)1-3-8-5-6/h8-9H,1-5H2/t6-/m0/s1
InChIKeyPLCAQPSBPZMFQK-LURJTMIESA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol (CID 156538387) is 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol is OCC[C@@]1(F)CCNC1.
What is the InChIKey of 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol?
The InChIKey is PLCAQPSBPZMFQK-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FNO/c7-6(2-4-9)1-3-8-5-6/h8-9H,1-5H2/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol?
2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropyrrolidin-3-yl]ethanol is sourced from PubChem (CID 156538387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).