(3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol

C8H16FNO — CID 99995241

IUPAC(3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol
SMILESCC[C@@H]1C[C@@H](O)CN1CCF
InChIInChI=1S/C8H16FNO/c1-2-7-5-8(11)6-10(7)4-3-9/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyMXKKVEPSYNPNCA-HTQZYQBOSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

About (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol

(3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol (PubChem CID 99995241) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol
PubChem CID99995241
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol
SMILESCC[C@@H]1C[C@@H](O)CN1CCF
InChIInChI=1S/C8H16FNO/c1-2-7-5-8(11)6-10(7)4-3-9/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyMXKKVEPSYNPNCA-HTQZYQBOSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol (CID 99995241) is (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol is CC[C@@H]1C[C@@H](O)CN1CCF.
What is the InChIKey of (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
The InChIKey is MXKKVEPSYNPNCA-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-2-7-5-8(11)6-10(7)4-3-9/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol?
(3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-ethyl-1-(2-fluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 99995241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).