(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol

C9H18FNO — CID 99995545

IUPAC(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@H]1C[C@H](O)CN1CCF
InChIInChI=1S/C9H18FNO/c1-7(2)9-5-8(12)6-11(9)4-3-10/h7-9,12H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyNFUZWPNJMYEBFN-DTWKUNHWSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol

(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol (PubChem CID 99995545) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
PubChem CID99995545
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@H]1C[C@H](O)CN1CCF
InChIInChI=1S/C9H18FNO/c1-7(2)9-5-8(12)6-11(9)4-3-10/h7-9,12H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyNFUZWPNJMYEBFN-DTWKUNHWSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol (CID 99995545) is (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol is CC(C)[C@H]1C[C@H](O)CN1CCF.
What is the InChIKey of (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol?
The InChIKey is NFUZWPNJMYEBFN-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)9-5-8(12)6-11(9)4-3-10/h7-9,12H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol?
(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 99995545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).