(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

C8H15F2NO — CID 123449239

IUPAC(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCCC1(CO)CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO/c1-3-7(6-12)4-8(9,10)5-11(7)2/h12H,3-6H2,1-2H3
InChIKeyZDOWNNZNINSPCF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.10
Rot. Bonds2

About (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol

(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol (PubChem CID 123449239) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
PubChem CID123449239
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCCC1(CO)CC(F)(F)CN1C
InChIInChI=1S/C8H15F2NO/c1-3-7(6-12)4-8(9,10)5-11(7)2/h12H,3-6H2,1-2H3
InChIKeyZDOWNNZNINSPCF-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol (CID 123449239) is (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol is CCC1(CO)CC(F)(F)CN1C.
What is the InChIKey of (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
The InChIKey is ZDOWNNZNINSPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-3-7(6-12)4-8(9,10)5-11(7)2/h12H,3-6H2,1-2H3.
What are the key properties of (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol?
(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol has a molecular weight of 179.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 123449239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).