[2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol

C9H16FNO2 — CID 130620104

IUPAC[2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol
SMILESOCC1CC1N1CCC(F)(CO)C1
InChIInChI=1S/C9H16FNO2/c10-9(6-13)1-2-11(5-9)8-3-7(8)4-12/h7-8,12-13H,1-6H2
InChIKeyLZDIEMMLWACJSK-UHFFFAOYSA-N
MW189.23 g/mol
LogP-0.23
Rot. Bonds3

About [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol

[2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol (PubChem CID 130620104) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol
PubChem CID130620104
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol
SMILESOCC1CC1N1CCC(F)(CO)C1
InChIInChI=1S/C9H16FNO2/c10-9(6-13)1-2-11(5-9)8-3-7(8)4-12/h7-8,12-13H,1-6H2
InChIKeyLZDIEMMLWACJSK-UHFFFAOYSA-N
XLogP-0.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-piperidin-1-ylcyclopropyl)methanol
CID 130678340
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876
[2-(3-methylpyrrolidin-1-yl)cyclopropyl]methanol
CID 130643194
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
[2-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanol
CID 131065228
[2-(4-methoxypiperidin-1-yl)cyclopropyl]methanol
CID 127013181
3-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]butan-2-ol
CID 131175976
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
CID 130616482
[3-fluoro-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 130719897
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240

Frequently Asked Questions

What is the IUPAC name of [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol?
The IUPAC name of [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol (CID 130620104) is [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol.
What is the SMILES notation for [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol?
The canonical SMILES for [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol is OCC1CC1N1CCC(F)(CO)C1.
What is the InChIKey of [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol?
The InChIKey is LZDIEMMLWACJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-9(6-13)1-2-11(5-9)8-3-7(8)4-12/h7-8,12-13H,1-6H2.
What are the key properties of [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol?
[2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol has a molecular weight of 189.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]cyclopropyl]methanol is sourced from PubChem (CID 130620104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).