[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid

C7H10F5NO3 — CID 146310865

IUPAC[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC[C@H]1CC(F)(F)CN1
InChIInChI=1S/C5H9F2NO.C2HF3O2/c6-5(7)1-4(2-9)8-3-5;3-2(4,5)1(6)7/h4,8-9H,1-3H2;(H,6,7)/t4-;/m1./s1
InChIKeyJLWNASDXNMMULE-PGMHMLKASA-N
MW251.15 g/mol
LogP0.61
Rot. Bonds1

About [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid

[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 146310865) has the molecular formula C7H10F5NO3 and a molecular weight of 251.15 g/mol. Its IUPAC name is [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID146310865
Molecular FormulaC7H10F5NO3
Molecular Weight251.15 g/mol
Exact Mass251.06
IUPAC Name[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC[C@H]1CC(F)(F)CN1
InChIInChI=1S/C5H9F2NO.C2HF3O2/c6-5(7)1-4(2-9)8-3-5;3-2(4,5)1(6)7/h4,8-9H,1-3H2;(H,6,7)/t4-;/m1./s1
InChIKeyJLWNASDXNMMULE-PGMHMLKASA-N
XLogP0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid (CID 146310865) is [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC[C@H]1CC(F)(F)CN1.
What is the InChIKey of [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is JLWNASDXNMMULE-PGMHMLKASA-N. The full InChI is InChI=1S/C5H9F2NO.C2HF3O2/c6-5(7)1-4(2-9)8-3-5;3-2(4,5)1(6)7/h4,8-9H,1-3H2;(H,6,7)/t4-;/m1./s1.
What are the key properties of [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
[(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 251.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoropyrrolidin-2-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146310865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).