1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol

C7H8F7NO — CID 118654021

IUPAC1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol
SMILESOC([C@@H]1C[C@@H](F)CN1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c8-3-1-4(15-2-3)5(16,6(9,10)11)7(12,13)14/h3-4,15-16H,1-2H2/t3-,4+/m1/s1
InChIKeyQVLBLSOVHZFPBM-DMTCNVIQSA-N
MW255.13 g/mol
LogP1.54
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol (PubChem CID 118654021) has the molecular formula C7H8F7NO and a molecular weight of 255.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol
PubChem CID118654021
Molecular FormulaC7H8F7NO
Molecular Weight255.13 g/mol
Exact Mass255.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol
SMILESOC([C@@H]1C[C@@H](F)CN1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F7NO/c8-3-1-4(15-2-3)5(16,6(9,10)11)7(12,13)14/h3-4,15-16H,1-2H2/t3-,4+/m1/s1
InChIKeyQVLBLSOVHZFPBM-DMTCNVIQSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol (CID 118654021) is 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol is OC([C@@H]1C[C@@H](F)CN1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol?
The InChIKey is QVLBLSOVHZFPBM-DMTCNVIQSA-N. The full InChI is InChI=1S/C7H8F7NO/c8-3-1-4(15-2-3)5(16,6(9,10)11)7(12,13)14/h3-4,15-16H,1-2H2/t3-,4+/m1/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol has a molecular weight of 255.13 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 118654021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).