2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol

C11H21F2NO — CID 141084252

IUPAC2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol
SMILESCCC(F)(F)CCC1CCN(CCO)C1
InChIInChI=1S/C11H21F2NO/c1-2-11(12,13)5-3-10-4-6-14(9-10)7-8-15/h10,15H,2-9H2,1H3
InChIKeyMYQJOJDHNMFIPL-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.13
Rot. Bonds6

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

2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol (PubChem CID 141084252) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol
PubChem CID141084252
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol
SMILESCCC(F)(F)CCC1CCN(CCO)C1
InChIInChI=1S/C11H21F2NO/c1-2-11(12,13)5-3-10-4-6-14(9-10)7-8-15/h10,15H,2-9H2,1H3
InChIKeyMYQJOJDHNMFIPL-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,3-Difluoropropyl)pyrrolidin-1-yl]ethanol
CID 141084251
1,1,1,3,3,3-Hexafluoro-2-[(4-hexyl-2-methylpyrrolidin-1-yl)methyl]propan-2-ol
CID 156578956
2-(4-Ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
CID 163379532
2-(3,3-Difluoro-4-propan-2-ylpyrrolidin-1-yl)ethanol
CID 163381002
Ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
CID 170603780
3-(2-Cyclopentylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901034
1,1,1-Trifluoro-3-(2-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 65714971
2-[Cyclopentylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864876
2-[Methyl-[[3-(trifluoromethyl)cyclohexyl]methyl]amino]ethanol
CID 104412399
2-[(4,4-Difluorocyclohexyl)methyl-methylamino]ethanol
CID 104412418
1,1,1-Trifluoro-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 104489548
3-(3-Ethylpyrrolidin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 104489552

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol (CID 141084252) is 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol is CCC(F)(F)CCC1CCN(CCO)C1.
What is the InChIKey of 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol?
The InChIKey is MYQJOJDHNMFIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-2-11(12,13)5-3-10-4-6-14(9-10)7-8-15/h10,15H,2-9H2,1H3.
What are the key properties of 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol?
2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol has a molecular weight of 221.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3-difluoropentyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 141084252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).