[(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol

C7H13F2NO2 — CID 155267436

IUPAC[(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](COC(F)F)CN1
InChIInChI=1S/C7H13F2NO2/c8-7(9)12-4-5-1-6(3-11)10-2-5/h5-7,10-11H,1-4H2/t5-,6+/m1/s1
InChIKeyUJOTZMNVDUHSHY-RITPCOANSA-N
MW181.18 g/mol
LogP0.20
Rot. Bonds4

About [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol

[(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 155267436) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol
PubChem CID155267436
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name[(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@@H](COC(F)F)CN1
InChIInChI=1S/C7H13F2NO2/c8-7(9)12-4-5-1-6(3-11)10-2-5/h5-7,10-11H,1-4H2/t5-,6+/m1/s1
InChIKeyUJOTZMNVDUHSHY-RITPCOANSA-N
XLogP0.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol (CID 155267436) is [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@@H](COC(F)F)CN1.
What is the InChIKey of [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is UJOTZMNVDUHSHY-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-7(9)12-4-5-1-6(3-11)10-2-5/h5-7,10-11H,1-4H2/t5-,6+/m1/s1.
What are the key properties of [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol?
[(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 181.18 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(difluoromethoxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155267436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).