2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol

C8H16FNO — CID 115694999

IUPAC2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCF)C1
InChIInChI=1S/C8H16FNO/c9-3-5-10-4-1-8(7-10)2-6-11/h8,11H,1-7H2
InChIKeyJJZCVRMQGPABOU-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds4

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

2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol (PubChem CID 115694999) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol
PubChem CID115694999
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CCF)C1
InChIInChI=1S/C8H16FNO/c9-3-5-10-4-1-8(7-10)2-6-11/h8,11H,1-7H2
InChIKeyJJZCVRMQGPABOU-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpyrrolidin-3-yl)ethan-1-ol
CID 21191123
3-[3-(1-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67281088
3-[3-(2-Fluoroethyl)pyrrolidin-1-yl]propan-1-ol
CID 67283084
4,4-Difluoro-5-(pyrrolidin-1-yl)pentan-1-ol
CID 69672278
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
(4R)-4-fluoro-5-pyrrolidin-1-ylpentan-1-ol
CID 155232855
5-[(2-Fluoro-2-methylbutyl)-methylamino]pentan-1-ol
CID 167071812
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-ol
CID 168880963
[1-(3-Fluoropropyl)pyrrolidin-3-yl]methanol
CID 81113672
[1-(2-Fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
[1-(3-Fluoropropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102788449
2-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
CID 103366482

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol (CID 115694999) is 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CCF)C1.
What is the InChIKey of 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is JJZCVRMQGPABOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-3-5-10-4-1-8(7-10)2-6-11/h8,11H,1-7H2.
What are the key properties of 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115694999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).