1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine

C12H22F2N2 — CID 167291973

IUPAC1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
SMILESCC(C)(C)N1CC[C@H](N2CCC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2/c1-11(2,3)16-6-4-10(8-16)15-7-5-12(13,14)9-15/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXRQONKFFZGVFBT-JTQLQIEISA-N
MW232.32 g/mol
LogP2.20
Rot. Bonds1

About 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine

1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine (PubChem CID 167291973) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
PubChem CID167291973
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
SMILESCC(C)(C)N1CC[C@H](N2CCC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2/c1-11(2,3)16-6-4-10(8-16)15-7-5-12(13,14)9-15/h10H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyXRQONKFFZGVFBT-JTQLQIEISA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
CID 167292307
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
(3S)-1-tert-butyl-N-[3-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]-3-methylbutyl]-N-methylpyrrolidin-3-amine
CID 167292234
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
1-(1-tert-butylazetidin-3-yl)-4,4-dimethylpiperidine
CID 166567337
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine (CID 167291973) is 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine is CC(C)(C)N1CC[C@H](N2CCC(F)(F)C2)C1.
What is the InChIKey of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine?
The InChIKey is XRQONKFFZGVFBT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22F2N2/c1-11(2,3)16-6-4-10(8-16)15-7-5-12(13,14)9-15/h10H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine?
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine has a molecular weight of 232.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 167291973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).