1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid

C8H12F5NO3 — CID 118294824

IUPAC1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCC(O)[C@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2NO.C2HF3O2/c1-4(10)5-2-6(7,8)3-9-5;3-2(4,5)1(6)7/h4-5,9-10H,2-3H2,1H3;(H,6,7)/t4?,5-;/m1./s1
InChIKeyQCDVPGFYILIRIY-VVNPLDQHSA-N
MW265.18 g/mol
LogP1.00
Rot. Bonds1

About 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid

1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 118294824) has the molecular formula C8H12F5NO3 and a molecular weight of 265.18 g/mol. Its IUPAC name is 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
PubChem CID118294824
Molecular FormulaC8H12F5NO3
Molecular Weight265.18 g/mol
Exact Mass265.07
IUPAC Name1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCC(O)[C@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2NO.C2HF3O2/c1-4(10)5-2-6(7,8)3-9-5;3-2(4,5)1(6)7/h4-5,9-10H,2-3H2,1H3;(H,6,7)/t4?,5-;/m1./s1
InChIKeyQCDVPGFYILIRIY-VVNPLDQHSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid (CID 118294824) is 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid is CC(O)[C@H]1CC(F)(F)CN1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is QCDVPGFYILIRIY-VVNPLDQHSA-N. The full InChI is InChI=1S/C6H11F2NO.C2HF3O2/c1-4(10)5-2-6(7,8)3-9-5;3-2(4,5)1(6)7/h4-5,9-10H,2-3H2,1H3;(H,6,7)/t4?,5-;/m1./s1.
What are the key properties of 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid?
1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 265.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4,4-difluoropyrrolidin-2-yl]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118294824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).