1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

C7H9F6NO — CID 167396115

IUPAC1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESOC([C@@H]1CCCN1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO/c8-6(9,10)5(15,7(11,12)13)4-2-1-3-14-4/h4,14-15H,1-3H2/t4-/m0/s1
InChIKeyMWKBLDZULWVJRQ-BYPYZUCNSA-N
MW237.14 g/mol
LogP1.59
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (PubChem CID 167396115) has the molecular formula C7H9F6NO and a molecular weight of 237.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
PubChem CID167396115
Molecular FormulaC7H9F6NO
Molecular Weight237.14 g/mol
Exact Mass237.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESOC([C@@H]1CCCN1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO/c8-6(9,10)5(15,7(11,12)13)4-2-1-3-14-4/h4,14-15H,1-3H2/t4-/m0/s1
InChIKeyMWKBLDZULWVJRQ-BYPYZUCNSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.59
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)-pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (CID 167396115) is 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is OC([C@@H]1CCCN1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The InChIKey is MWKBLDZULWVJRQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9F6NO/c8-6(9,10)5(15,7(11,12)13)4-2-1-3-14-4/h4,14-15H,1-3H2/t4-/m0/s1.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol has a molecular weight of 237.14 g/mol, XLogP of 1.59, 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)-pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 167396115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).