[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol

C9H18FNO — CID 148839745

IUPAC[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1C[C@H](F)C[C@@H]1CO
InChIInChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyOVHVCSQWPDJTIY-HTQZYQBOSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds1

About [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol

[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 148839745) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
PubChem CID148839745
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol
SMILESCC(C)(C)N1C[C@H](F)C[C@@H]1CO
InChIInChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyOVHVCSQWPDJTIY-HTQZYQBOSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol (CID 148839745) is [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol is CC(C)(C)N1C[C@H](F)C[C@@H]1CO.
What is the InChIKey of [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is OVHVCSQWPDJTIY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)11-5-7(10)4-8(11)6-12/h7-8,12H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol?
[(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-tert-butyl-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 148839745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).