[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol

C8H14FNO — CID 177009223

IUPAC[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
SMILESCN1C/C(=C/F)C[C@@]1(C)CO
InChIInChI=1S/C8H14FNO/c1-8(6-11)3-7(4-9)5-10(8)2/h4,11H,3,5-6H2,1-2H3/b7-4+/t8-/m0/s1
InChIKeyDOXGSVWBLXHGDK-IPWDFOCMSA-N
MW159.20 g/mol
LogP0.93
Rot. Bonds1

About [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol

[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol (PubChem CID 177009223) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
PubChem CID177009223
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
SMILESCN1C/C(=C/F)C[C@@]1(C)CO
InChIInChI=1S/C8H14FNO/c1-8(6-11)3-7(4-9)5-10(8)2/h4,11H,3,5-6H2,1-2H3/b7-4+/t8-/m0/s1
InChIKeyDOXGSVWBLXHGDK-IPWDFOCMSA-N
XLogP0.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4Z)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163659245
[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 163598880
[(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164922426
(6-Fluoro-2,3-dihydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 166984294
[(2R,8R)-2-fluoro-6-methyl-1,2,3,5-tetrahydropyrrolizin-8-yl]methanol
CID 172287953
[(2R)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 172577713
[4-(Difluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 176294879
[(2S)-4-(difluoromethylidene)-1-methylpyrrolidin-2-yl]methanol
CID 176323839
[4-(Difluoromethylidene)-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 176919552
[(2S)-4-(difluoromethylidene)-1-ethyl-2-methylpyrrolidin-2-yl]methanol
CID 176919665
(1S)-1-[(2S,3Z)-1-ethyl-3-(fluoromethylidene)pyrrolidin-2-yl]ethanol
CID 177009395
(2S,4E)-4-(fluoromethylidene)-2-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 177009760

Frequently Asked Questions

What is the IUPAC name of [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol (CID 177009223) is [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol is CN1C/C(=C/F)C[C@@]1(C)CO.
What is the InChIKey of [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol?
The InChIKey is DOXGSVWBLXHGDK-IPWDFOCMSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(6-11)3-7(4-9)5-10(8)2/h4,11H,3,5-6H2,1-2H3/b7-4+/t8-/m0/s1.
What are the key properties of [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol?
[(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol has a molecular weight of 159.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 177009223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).