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

C9H18FNO — CID 80601823

IUPAC3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCF
InChIInChI=1S/C9H18FNO/c10-5-7-11-6-1-3-9(11)4-2-8-12/h9,12H,1-8H2
InChIKeyKOKDTSLBBODAOQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds5

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

3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80601823) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80601823
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCF
InChIInChI=1S/C9H18FNO/c10-5-7-11-6-1-3-9(11)4-2-8-12/h9,12H,1-8H2
InChIKeyKOKDTSLBBODAOQ-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-[2-(2-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281651
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
2-[1-(3-fluoropropyl)piperidin-2-yl]ethanol
CID 81113088
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol (CID 80601823) is 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCF.
What is the InChIKey of 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is KOKDTSLBBODAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-7-11-6-1-3-9(11)4-2-8-12/h9,12H,1-8H2.
What are the key properties of 3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2-fluoroethyl)pyrrolidin-2-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-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80601823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).