(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol

C12H24FNO — CID 166767250

IUPAC(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
SMILESCC(C)(C)[C@@H]1[C@H](O)[C@H](F)CN1C(C)(C)C
InChIInChI=1S/C12H24FNO/c1-11(2,3)10-9(15)8(13)7-14(10)12(4,5)6/h8-10,15H,7H2,1-6H3/t8-,9-,10+/m1/s1
InChIKeyOXZMJCCTRVAIIN-BBBLOLIVSA-N
MW217.33 g/mol
LogP2.21
Rot. Bonds

About (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol

(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol (PubChem CID 166767250) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
PubChem CID166767250
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol
SMILESCC(C)(C)[C@@H]1[C@H](O)[C@H](F)CN1C(C)(C)C
InChIInChI=1S/C12H24FNO/c1-11(2,3)10-9(15)8(13)7-14(10)12(4,5)6/h8-10,15H,7H2,1-6H3/t8-,9-,10+/m1/s1
InChIKeyOXZMJCCTRVAIIN-BBBLOLIVSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol?
The IUPAC name of (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol (CID 166767250) is (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol is CC(C)(C)[C@@H]1[C@H](O)[C@H](F)CN1C(C)(C)C.
What is the InChIKey of (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol?
The InChIKey is OXZMJCCTRVAIIN-BBBLOLIVSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(2,3)10-9(15)8(13)7-14(10)12(4,5)6/h8-10,15H,7H2,1-6H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol?
(2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol has a molecular weight of 217.33 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 166767250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).