1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane

C10H21F2NO — CID 171837241

IUPAC1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
SMILESCC.CCC(O)CN1CCC(F)(F)C1
InChIInChI=1S/C8H15F2NO.C2H6/c1-2-7(12)5-11-4-3-8(9,10)6-11;1-2/h7,12H,2-6H2,1H3;1-2H3
InChIKeyBOBKNGAIFRGONE-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.12
Rot. Bonds3

About 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane

1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane (PubChem CID 171837241) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
PubChem CID171837241
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
SMILESCC.CCC(O)CN1CCC(F)(F)C1
InChIInChI=1S/C8H15F2NO.C2H6/c1-2-7(12)5-11-4-3-8(9,10)6-11;1-2/h7,12H,2-6H2,1H3;1-2H3
InChIKeyBOBKNGAIFRGONE-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpentyl)-3,3-difluoropyrrolidine
CID 130419412
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
CID 131212587
1,1-diethylcyclopropane;1-(3,3-difluoropyrrolidin-1-yl)-4-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol;ethane
CID 171507310
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
1-(2,7-diazaspiro[4.4]nonan-2-yl)butan-2-ol
CID 130525842
3,3-difluoro-1-(2-heptylnonyl)pyrrolidine
CID 130348172
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-methylbutanenitrile
CID 116991652
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
CID 130624309
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
4-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-1-amine
CID 116991552
2-[(2S)-3-(3,3-difluoropyrrolidin-1-yl)-2-hydroxypropyl]isoindole-1,3-dione
CID 129358897
3-(3,3-difluoropyrrolidin-1-yl)-2-methylpropanehydrazide
CID 130632039

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane (CID 171837241) is 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane is CC.CCC(O)CN1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane?
The InChIKey is BOBKNGAIFRGONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C2H6/c1-2-7(12)5-11-4-3-8(9,10)6-11;1-2/h7,12H,2-6H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane?
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane has a molecular weight of 209.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane is sourced from PubChem (CID 171837241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).