3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol

C9H18FNO — CID 67281651

IUPAC3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCN1CCCC1CCF
InChIInChI=1S/C9H18FNO/c10-5-4-9-3-1-6-11(9)7-2-8-12/h9,12H,1-8H2
InChIKeyQEGSSETYGQCIOQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds5

About 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol

3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 67281651) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID67281651
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCN1CCCC1CCF
InChIInChI=1S/C9H18FNO/c10-5-4-9-3-1-6-11(9)7-2-8-12/h9,12H,1-8H2
InChIKeyQEGSSETYGQCIOQ-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
2-[1-(3-fluoropropyl)piperidin-2-yl]ethanol
CID 81113088
3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
[(2S)-1-(3-hydroxypropyl)pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 71122648
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol (CID 67281651) is 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol is OCCCN1CCCC1CCF.
What is the InChIKey of 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is QEGSSETYGQCIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-4-9-3-1-6-11(9)7-2-8-12/h9,12H,1-8H2.
What are the key properties of 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 67281651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).