2-fluoro-3-pyrrolidin-3-ylpropan-1-ol

C7H14FNO — CID 105429061

IUPAC2-fluoro-3-pyrrolidin-3-ylpropan-1-ol
SMILESOCC(F)CC1CCNC1
InChIInChI=1S/C7H14FNO/c8-7(5-10)3-6-1-2-9-4-6/h6-7,9-10H,1-5H2
InChIKeyUMMLWASQNBWYIY-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.32
Rot. Bonds3

About 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol

2-fluoro-3-pyrrolidin-3-ylpropan-1-ol (PubChem CID 105429061) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-pyrrolidin-3-ylpropan-1-ol
PubChem CID105429061
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-fluoro-3-pyrrolidin-3-ylpropan-1-ol
SMILESOCC(F)CC1CCNC1
InChIInChI=1S/C7H14FNO/c8-7(5-10)3-6-1-2-9-4-6/h6-7,9-10H,1-5H2
InChIKeyUMMLWASQNBWYIY-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-3-yl)ethan-1-ol
CID 12612441
3-Pyrrolidinepropanol
CID 18337184
2-(Pyrrolidin-3-yl)ethanol hydrochloride
CID 23079943
2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
2-[(3S)-pyrrolidin-3-yl]ethan-1-ol hydrochloride
CID 71646442
3-[(3R)-pyrrolidin-3-yl]propan-1-ol hydrochloride
CID 170914857
2-[(3R)-pyrrolidin-3-yl]ethan-1-ol hydrochloride
CID 71646443
2-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769752
[(2S,4S,5S)-4-(fluoromethyl)-5-methylpyrrolidin-2-yl]methanol
CID 89078319
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
2,2-Difluoro-1-pyrrolidin-3-ylpropane-1,3-diol
CID 143016296
3,3,3-Trifluoro-2-pyrrolidin-3-ylpropan-1-ol
CID 143016514

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol?
The IUPAC name of 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol (CID 105429061) is 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol.
What is the SMILES notation for 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol?
The canonical SMILES for 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol is OCC(F)CC1CCNC1.
What is the InChIKey of 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol?
The InChIKey is UMMLWASQNBWYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-7(5-10)3-6-1-2-9-4-6/h6-7,9-10H,1-5H2.
What are the key properties of 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol?
2-fluoro-3-pyrrolidin-3-ylpropan-1-ol has a molecular weight of 147.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-pyrrolidin-3-ylpropan-1-ol is sourced from PubChem (CID 105429061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).