(3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol

C8H16FNO — CID 90156152

IUPAC(3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyMWASPZMDGHXHTN-RNFRBKRXSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds

About (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol

(3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol (PubChem CID 90156152) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
PubChem CID90156152
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C8H16FNO/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyMWASPZMDGHXHTN-RNFRBKRXSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol (CID 90156152) is (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol is CC(C)(C)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
The InChIKey is MWASPZMDGHXHTN-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 90156152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).