(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine

C7H14FNO — CID 99994975

IUPAC(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine
SMILESC[C@H]1C[C@H](OCCF)CN1
InChIInChI=1S/C7H14FNO/c1-6-4-7(5-9-6)10-3-2-8/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyHODNQNNGJWSAAB-BQBZGAKWSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds3

About (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine

(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine (PubChem CID 99994975) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine
PubChem CID99994975
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine
SMILESC[C@H]1C[C@H](OCCF)CN1
InChIInChI=1S/C7H14FNO/c1-6-4-7(5-9-6)10-3-2-8/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyHODNQNNGJWSAAB-BQBZGAKWSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine?
The IUPAC name of (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine (CID 99994975) is (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine?
The canonical SMILES for (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine is C[C@H]1C[C@H](OCCF)CN1.
What is the InChIKey of (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine?
The InChIKey is HODNQNNGJWSAAB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6-4-7(5-9-6)10-3-2-8/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine?
(2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(2-fluoroethoxy)-2-methylpyrrolidine is sourced from PubChem (CID 99994975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).