2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol

C9H18FNO — CID 178107003

IUPAC2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCC(C)C1C(F)CCN1CCO
InChIInChI=1S/C9H18FNO/c1-7(2)9-8(10)3-4-11(9)5-6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyHMNJBPCAHOMHIG-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol

2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol (PubChem CID 178107003) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol
PubChem CID178107003
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCC(C)C1C(F)CCN1CCO
InChIInChI=1S/C9H18FNO/c1-7(2)9-8(10)3-4-11(9)5-6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyHMNJBPCAHOMHIG-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177091664
(2R,3S)-3-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168850357
(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164
(1R)-1-[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414162
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
1-[1-(3-hydroxypropyl)pyrrolidin-2-yl]propan-2-ol
CID 115758768
ethyl (2S)-2-[(2R,3S)-1-benzyl-3-fluoropyrrolidin-2-yl]propanoate
CID 101156135
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
2-(2,3-dimethylimidazolidin-1-yl)ethanol
CID 67521197
ethane;5-fluoro-1-methylazepan-4-ol
CID 166157376
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
CID 178125240

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol (CID 178107003) is 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol is CC(C)C1C(F)CCN1CCO.
What is the InChIKey of 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol?
The InChIKey is HMNJBPCAHOMHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)9-8(10)3-4-11(9)5-6-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol?
2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 178107003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).