[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol

C7H13F2NO — CID 168881104

IUPAC[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC(C(F)F)[C@H]1CO
InChIInChI=1S/C7H13F2NO/c1-10-3-2-5(7(8)9)6(10)4-11/h5-7,11H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyNHMHBXZAUIHPIL-PRJDIBJQSA-N
MW165.18 g/mol
LogP0.56
Rot. Bonds2

About [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol

[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 168881104) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
PubChem CID168881104
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1CCC(C(F)F)[C@H]1CO
InChIInChI=1S/C7H13F2NO/c1-10-3-2-5(7(8)9)6(10)4-11/h5-7,11H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyNHMHBXZAUIHPIL-PRJDIBJQSA-N
XLogP0.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 10954178
[(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
[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]methanol
CID 62013740
[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 72207988
[(2R)-4,4-Difluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619538
[(2R,4R)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619547
(S)-(1-(2-Fluoroethyl)pyrrolidin-2-yl)methanol
CID 79326811
[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 80601924

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol (CID 168881104) is [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol is CN1CCC(C(F)F)[C@H]1CO.
What is the InChIKey of [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is NHMHBXZAUIHPIL-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10-3-2-5(7(8)9)6(10)4-11/h5-7,11H,2-4H2,1H3/t5?,6-/m1/s1.
What are the key properties of [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol?
[(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 165.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(difluoromethyl)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 168881104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).