1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol

C8H13F2NO — CID 177054088

IUPAC1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol
SMILESCC(O)C1C(=C(F)F)CCN1C
InChIInChI=1S/C8H13F2NO/c1-5(12)7-6(8(9)10)3-4-11(7)2/h5,7,12H,3-4H2,1-2H3
InChIKeyDNECHPJAZYVCAJ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.22
Rot. Bonds1

About 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol

1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol (PubChem CID 177054088) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol
PubChem CID177054088
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol
SMILESCC(O)C1C(=C(F)F)CCN1C
InChIInChI=1S/C8H13F2NO/c1-5(12)7-6(8(9)10)3-4-11(7)2/h5,7,12H,3-4H2,1-2H3
InChIKeyDNECHPJAZYVCAJ-UHFFFAOYSA-N
XLogP1.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol (CID 177054088) is 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol is CC(O)C1C(=C(F)F)CCN1C.
What is the InChIKey of 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol?
The InChIKey is DNECHPJAZYVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5(12)7-6(8(9)10)3-4-11(7)2/h5,7,12H,3-4H2,1-2H3.
What are the key properties of 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol?
1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol has a molecular weight of 177.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylidene)-1-methylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 177054088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).