1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol

C10H20FNO — CID 66815505

IUPAC1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
SMILESCC(C)(C)N1CCC(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
InChIKeyQIPQKEJDJHZXTQ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds2

About 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol

1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol (PubChem CID 66815505) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol.

Molecular Properties

Compound Name1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
PubChem CID66815505
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
SMILESCC(C)(C)N1CCC(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
InChIKeyQIPQKEJDJHZXTQ-UHFFFAOYSA-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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Related Compounds

1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
2-(1-tert-butylpiperidin-3-yl)-2-fluoroethanamine
CID 105454874
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
(3S)-1-tert-butyl-N,N-diethylpyrrolidin-3-amine
CID 129088258
(3S,4R)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581981
(3R,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581949
(3S,4S)-1-tert-butyl-3-propylpiperidin-4-ol
CID 171581887
1-tert-butylpyrrolidine-3-carbothioamide
CID 172787377

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
The IUPAC name of 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol (CID 66815505) is 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol.
What is the SMILES notation for 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
The canonical SMILES for 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol is CC(C)(C)N1CCC(C(O)CF)C1.
What is the InChIKey of 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
The InChIKey is QIPQKEJDJHZXTQ-UHFFFAOYSA-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.
What are the key properties of 1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol?
1-(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-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol is sourced from PubChem (CID 66815505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).