(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol

C6H12FNO — CID 124669253

IUPAC(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C6H12FNO/c1-4(9)6-2-5(7)3-8-6/h4-6,8-9H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKeyPEWJKGJOICHTCR-JKUQZMGJSA-N
MW133.17 g/mol
LogP0.07
Rot. Bonds1

About (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol

(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol (PubChem CID 124669253) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
PubChem CID124669253
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C6H12FNO/c1-4(9)6-2-5(7)3-8-6/h4-6,8-9H,2-3H2,1H3/t4-,5+,6-/m0/s1
InChIKeyPEWJKGJOICHTCR-JKUQZMGJSA-N
XLogP0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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 (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol (CID 124669253) is (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol is C[C@H](O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol?
The InChIKey is PEWJKGJOICHTCR-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4(9)6-2-5(7)3-8-6/h4-6,8-9H,2-3H2,1H3/t4-,5+,6-/m0/s1.
What are the key properties of (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol?
(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol has a molecular weight of 133.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol is sourced from PubChem (CID 124669253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).