(3S)-3-tert-butyl-3-fluoropyrrolidine

C8H16FN — CID 129375471

IUPAC(3S)-3-tert-butyl-3-fluoropyrrolidine
SMILESCC(C)(C)[C@@]1(F)CCNC1
InChIInChI=1S/C8H16FN/c1-7(2,3)8(9)4-5-10-6-8/h10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeySWPAWIALQZBXCR-MRVPVSSYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds

About (3S)-3-tert-butyl-3-fluoropyrrolidine

(3S)-3-tert-butyl-3-fluoropyrrolidine (PubChem CID 129375471) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S)-3-tert-butyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-3-tert-butyl-3-fluoropyrrolidine
PubChem CID129375471
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S)-3-tert-butyl-3-fluoropyrrolidine
SMILESCC(C)(C)[C@@]1(F)CCNC1
InChIInChI=1S/C8H16FN/c1-7(2,3)8(9)4-5-10-6-8/h10H,4-6H2,1-3H3/t8-/m1/s1
InChIKeySWPAWIALQZBXCR-MRVPVSSYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-1-fluorocyclohexane
CID 13144920
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
ethane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 170646332
(3S)-3-ethyl-3-fluoropyrrolidine
CID 129375311
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
(3R)-3-fluoro-3-propan-2-ylpyrrolidine
CID 129375315
4-tert-butyl-4-(trifluoromethyl)piperidine
CID 122629323
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
CID 105443984

Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butyl-3-fluoropyrrolidine?
The IUPAC name of (3S)-3-tert-butyl-3-fluoropyrrolidine (CID 129375471) is (3S)-3-tert-butyl-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-3-tert-butyl-3-fluoropyrrolidine?
The canonical SMILES for (3S)-3-tert-butyl-3-fluoropyrrolidine is CC(C)(C)[C@@]1(F)CCNC1.
What is the InChIKey of (3S)-3-tert-butyl-3-fluoropyrrolidine?
The InChIKey is SWPAWIALQZBXCR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2,3)8(9)4-5-10-6-8/h10H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (3S)-3-tert-butyl-3-fluoropyrrolidine?
(3S)-3-tert-butyl-3-fluoropyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butyl-3-fluoropyrrolidine is sourced from PubChem (CID 129375471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).