1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol

C10H20FNO — CID 66815390

IUPAC1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
SMILESCC(C)(C)N1CC[C@H](C(O)CF)C1
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-5-4-8(7-12)9(13)6-11/h8-9,13H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyQIPQKEJDJHZXTQ-IENPIDJESA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds2

About 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol

1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol (PubChem CID 66815390) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol.

Molecular Properties

Compound Name1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
PubChem CID66815390
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol
SMILESCC(C)(C)N1CC[C@H](C(O)CF)C1
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-5-4-8(7-12)9(13)6-11/h8-9,13H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyQIPQKEJDJHZXTQ-IENPIDJESA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol?
The IUPAC name of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol (CID 66815390) is 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol.
What is the SMILES notation for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol?
The canonical SMILES for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol is CC(C)(C)N1CC[C@H](C(O)CF)C1.
What is the InChIKey of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol?
The InChIKey is QIPQKEJDJHZXTQ-IENPIDJESA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)12-5-4-8(7-12)9(13)6-11/h8-9,13H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol?
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-2-fluoroethanol is sourced from PubChem (CID 66815390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).