(1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol

C12H16FNO — CID 70214398

IUPAC(1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N1CC[C@@H](F)C1
InChIInChI=1S/C12H16FNO/c1-9(15)11-4-2-3-5-12(11)14-7-6-10(13)8-14/h2-5,9-10,15H,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyHIFMCKANYFFMKB-VHSXEESVSA-N
MW209.26 g/mol
LogP2.29
Rot. Bonds2

About (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol

(1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol (PubChem CID 70214398) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol
PubChem CID70214398
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N1CC[C@@H](F)C1
InChIInChI=1S/C12H16FNO/c1-9(15)11-4-2-3-5-12(11)14-7-6-10(13)8-14/h2-5,9-10,15H,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyHIFMCKANYFFMKB-VHSXEESVSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol (CID 70214398) is (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol is C[C@H](O)c1ccccc1N1CC[C@@H](F)C1.
What is the InChIKey of (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is HIFMCKANYFFMKB-VHSXEESVSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(15)11-4-2-3-5-12(11)14-7-6-10(13)8-14/h2-5,9-10,15H,6-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol?
(1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 209.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 70214398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).