(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol

C8H16FNO — CID 159687975

IUPAC(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](F)[C@@H](O)C1
InChIInChI=1S/C8H16FNO/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyMWASPZMDGHXHTN-RQJHMYQMSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds

About (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol

(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol (PubChem CID 159687975) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
PubChem CID159687975
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](F)[C@@H](O)C1
InChIInChI=1S/C8H16FNO/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyMWASPZMDGHXHTN-RQJHMYQMSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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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Related Compounds

(4S)-1,3-ditert-butyl-4-fluoropyrrolidine
CID 153470719
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine
CID 130301851
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(1-tert-butyl-4-fluoropyrrolidin-3-yl) hydrogen carbonate
CID 67182782
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
1,4-ditert-butyl-3-(trifluoromethyl)piperidine
CID 170677204
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171
(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
CID 139039444

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol (CID 159687975) is (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol is CC(C)(C)N1C[C@@H](F)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
The InChIKey is MWASPZMDGHXHTN-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol?
(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 159687975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).