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

C7H13F2NO — CID 118883059

IUPAC2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(O)C(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-2-5(4-10)6(11)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyZVSHIEKUDYHZQZ-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.56
Rot. Bonds2

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

2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 118883059) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID118883059
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(O)C(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-10-3-2-5(4-10)6(11)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyZVSHIEKUDYHZQZ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol (CID 118883059) is 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC(C(O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is ZVSHIEKUDYHZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-3-2-5(4-10)6(11)7(8)9/h5-7,11H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol?
2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 165.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 118883059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).