[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol

C9H15F2NO — CID 176664375

IUPAC[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2NO/c1-3-9(6-13)4-7(8(10)11)5-12(9)2/h13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyISGJUNVYJVASIE-VIFPVBQESA-N
MW191.22 g/mol
LogP1.61
Rot. Bonds2

About [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol

[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol (PubChem CID 176664375) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
PubChem CID176664375
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)CC(=C(F)F)CN1C
InChIInChI=1S/C9H15F2NO/c1-3-9(6-13)4-7(8(10)11)5-12(9)2/h13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyISGJUNVYJVASIE-VIFPVBQESA-N
XLogP1.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol (CID 176664375) is [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol is CC[C@@]1(CO)CC(=C(F)F)CN1C.
What is the InChIKey of [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is ISGJUNVYJVASIE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-9(6-13)4-7(8(10)11)5-12(9)2/h13H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol?
[(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 191.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(difluoromethylidene)-2-ethyl-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 176664375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).