(1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane

C9H19F2NO — CID 168995788

IUPAC(1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane
SMILESCC.C[C@H](O)[C@H]1N(C)CCC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-5(11)6-7(8,9)3-4-10(6)2;1-2/h5-6,11H,3-4H2,1-2H3;1-2H3/t5-,6+;/m0./s1
InChIKeyVARFUZCSVMQTEK-RIHPBJNCSA-N
MW195.25 g/mol
LogP1.73
Rot. Bonds1

About (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane

(1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane (PubChem CID 168995788) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane.

Molecular Properties

Compound Name(1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane
PubChem CID168995788
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name(1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane
SMILESCC.C[C@H](O)[C@H]1N(C)CCC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-5(11)6-7(8,9)3-4-10(6)2;1-2/h5-6,11H,3-4H2,1-2H3;1-2H3/t5-,6+;/m0./s1
InChIKeyVARFUZCSVMQTEK-RIHPBJNCSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
(1S)-1-[(2S)-1-Methylpyrrolidin-2-yl]ethanol
CID 92979732
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 10954178
N-methylpyrrolidinylpropanol
CID 20609780
2,2,2-Trifluoro-1-(1-prop-2-ynylpyrrolidin-2-yl)ethanol
CID 86768430
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
((2S,4R)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol
CID 60002592
[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 60002610
[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]methanol
CID 62013740

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane?
The IUPAC name of (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane (CID 168995788) is (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane.
What is the SMILES notation for (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane?
The canonical SMILES for (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane is CC.C[C@H](O)[C@H]1N(C)CCC1(F)F.
What is the InChIKey of (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane?
The InChIKey is VARFUZCSVMQTEK-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-5(11)6-7(8,9)3-4-10(6)2;1-2/h5-6,11H,3-4H2,1-2H3;1-2H3/t5-,6+;/m0./s1.
What are the key properties of (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane?
(1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane has a molecular weight of 195.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]ethanol;ethane is sourced from PubChem (CID 168995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).