(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine

C7H14FN — CID 59459275

IUPAC(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C7H14FN/c1-5(2)7-3-6(8)4-9-7/h5-7,9H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyZFUNDLNSEYGRHS-BQBZGAKWSA-N
MW131.19 g/mol
LogP1.34
Rot. Bonds1

About (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine

(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine (PubChem CID 59459275) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
PubChem CID59459275
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C7H14FN/c1-5(2)7-3-6(8)4-9-7/h5-7,9H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyZFUNDLNSEYGRHS-BQBZGAKWSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
CID 124669253
4-fluoro-2-propan-2-ylpiperidine
CID 84762912
4-fluoro-2-propan-2-ylpiperidine;hydrochloride
CID 115016067
4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
4-chloro-2-propan-2-ylpyrrolidine
CID 57194376
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 96744744
2-propan-2-yl-4-propan-2-yloxypyrrolidine
CID 102568611
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
(3R,5S)-5-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96735721
tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride
CID 129319825
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
(2R,4S)-4-(3-methylbutoxy)-2-propan-2-ylpyrrolidine
CID 99994737

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine?
The IUPAC name of (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine (CID 59459275) is (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine is CC(C)[C@@H]1C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine?
The InChIKey is ZFUNDLNSEYGRHS-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14FN/c1-5(2)7-3-6(8)4-9-7/h5-7,9H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine?
(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine has a molecular weight of 131.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 59459275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).