3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol

C9H17F2NO — CID 105446946

IUPAC3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
SMILESCC(O)C(F)(F)CC1CCN(C)C1
InChIInChI=1S/C9H17F2NO/c1-7(13)9(10,11)5-8-3-4-12(2)6-8/h7-8,13H,3-6H2,1-2H3
InChIKeyTYVXARPMQZPMLQ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.34
Rot. Bonds3

About 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol

3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol (PubChem CID 105446946) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
PubChem CID105446946
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol
SMILESCC(O)C(F)(F)CC1CCN(C)C1
InChIInChI=1S/C9H17F2NO/c1-7(13)9(10,11)5-8-3-4-12(2)6-8/h7-8,13H,3-6H2,1-2H3
InChIKeyTYVXARPMQZPMLQ-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
(1S)-2,2,2-trifluoro-1-[(2S)-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidin-2-yl]ethanol
CID 68067721
1-(3,3-Difluorocyclopentyl)-2-(dimethylamino)ethanol
CID 134603272
3,3-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 143016289
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-3-yl]propan-1-ol
CID 156089047
Propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
CID 163397426
1-[1,4-Di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 163397622
1-(1,2-Dimethylpyrrolidin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 172308746
1-(4,4-Difluoro-1,2-dimethylpyrrolidin-2-yl)ethanol
CID 172308807
[(5S)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 173872327
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
CID 62609554

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
The IUPAC name of 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol (CID 105446946) is 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol.
What is the SMILES notation for 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
The canonical SMILES for 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol is CC(O)C(F)(F)CC1CCN(C)C1.
What is the InChIKey of 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
The InChIKey is TYVXARPMQZPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(13)9(10,11)5-8-3-4-12(2)6-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol?
3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol has a molecular weight of 193.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(1-methylpyrrolidin-3-yl)butan-2-ol is sourced from PubChem (CID 105446946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).