2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol

C7H13F2NO — CID 105432623

IUPAC2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(F)(F)CO)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-2-6(4-10)7(8,9)5-11/h6,11H,2-5H2,1H3
InChIKeyYJTLAHDUIIHHAU-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.57
Rot. Bonds2

About 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol

2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 105432623) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID105432623
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(F)(F)CO)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-2-6(4-10)7(8,9)5-11/h6,11H,2-5H2,1H3
InChIKeyYJTLAHDUIIHHAU-UHFFFAOYSA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylpyrrolidin-3-yl)ethan-1-ol
CID 21191123
2,2-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 118883059
[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 131061530
((2S,4R)-1-Methyl-4-(trifluoromethyl)pyrrolidin-2-yl)methanol
CID 156117478
[3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 167468149
[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
CID 168881104
[(2S)-1-methyl-3-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 168881577
[(2R,3R)-3-(difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 169131305
[1-Methyl-2-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 71778189

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol (CID 105432623) is 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC(C(F)(F)CO)C1.
What is the InChIKey of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is YJTLAHDUIIHHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-3-2-6(4-10)7(8,9)5-11/h6,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol?
2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 165.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 105432623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).