4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C9H17F2NO — CID 171415811

IUPAC4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)C1CC(F)(F)CN1
InChIInChI=1S/C9H17F2NO/c1-6(2)13-7(3)8-4-9(10,11)5-12-8/h6-8,12H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyCDZVCXDUTPXVKO-JAMMHHFISA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds3

About 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 171415811) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID171415811
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)O[C@@H](C)C1CC(F)(F)CN1
InChIInChI=1S/C9H17F2NO/c1-6(2)13-7(3)8-4-9(10,11)5-12-8/h6-8,12H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyCDZVCXDUTPXVKO-JAMMHHFISA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4,4-difluoro-2-propan-2-ylpyrrolidine
CID 155605609
4,4-difluoropyrrolidin-2-ol
CID 142198674
(2R)-3-fluoro-1,3-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]azetidine
CID 175612145
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
cyclohexane;2-propan-2-yloxypropane
CID 22558525
(4aS,8aR)-3,3-difluoro-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline;hydrochloride
CID 155822383
(6S)-2,2-dimethyl-6-[(1S)-1-propan-2-yloxyethyl]morpholine
CID 176863413
5,5-difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
2-cyclopropyl-4,4-difluoropyrrolidine;hydrochloride
CID 115016605
(4,4-difluoropyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 77444038
6-propan-2-yl-5-azaspiro[2.5]octane
CID 169176157
[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
CID 74890069

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 171415811) is 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is CC(C)O[C@@H](C)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is CDZVCXDUTPXVKO-JAMMHHFISA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)13-7(3)8-4-9(10,11)5-12-8/h6-8,12H,4-5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 171415811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).