(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol

C7H14FNO — CID 166984354

IUPAC(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)CC1(C)CO
InChIInChI=1S/C7H14FNO/c1-7(5-10)3-6(8)4-9(7)2/h6,10H,3-5H2,1-2H3
InChIKeyGITFXLOGDAALFR-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds1

About (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol

(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol (PubChem CID 166984354) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol
PubChem CID166984354
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)CC1(C)CO
InChIInChI=1S/C7H14FNO/c1-7(5-10)3-6(8)4-9(7)2/h6,10H,3-5H2,1-2H3
InChIKeyGITFXLOGDAALFR-UHFFFAOYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
(1-Ethylpyrrolidin-2-yl)methanol
CID 259087
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
((2S,4R)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol
CID 60002592
[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 60002610
[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 72207988
[(2R)-4,4-Difluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619538

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol (CID 166984354) is (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol is CN1CC(F)CC1(C)CO.
What is the InChIKey of (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
The InChIKey is GITFXLOGDAALFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(5-10)3-6(8)4-9(7)2/h6,10H,3-5H2,1-2H3.
What are the key properties of (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol?
(4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,2-dimethylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 166984354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).