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

C9H15F2NO — CID 176919665

IUPAC[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
SMILESCCN1CC(=C(F)F)C[C@@]1(C)CO
InChIInChI=1S/C9H15F2NO/c1-3-12-5-7(8(10)11)4-9(12,2)6-13/h13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyHWWLDAFYGSGQMF-VIFPVBQESA-N
MW191.22 g/mol
LogP1.61
Rot. Bonds2

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

[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol (PubChem CID 176919665) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
PubChem CID176919665
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
SMILESCCN1CC(=C(F)F)C[C@@]1(C)CO
InChIInChI=1S/C9H15F2NO/c1-3-12-5-7(8(10)11)4-9(12,2)6-13/h13H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyHWWLDAFYGSGQMF-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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Related Compounds

[1-(2,2-Difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130634120
(4,4-Difluoro-1,2-dimethylpyrrolidin-2-yl)methanol
CID 146625005
[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163598880
[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163659245
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
[2-(Difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
CID 168881034
[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 169131286
[3-(Difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 172247289
[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 172577713
[4-(Difluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 176294879
[4-(Difluoromethyl)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 176294885
[(2S)-4-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 176323839

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol (CID 176919665) is [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol is CCN1CC(=C(F)F)C[C@@]1(C)CO.
What is the InChIKey of [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is HWWLDAFYGSGQMF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-12-5-7(8(10)11)4-9(12,2)6-13/h13H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol?
[(2S)-4-(difluoromethylidene)-1-ethyl-2-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)-1-ethyl-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 176919665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).