3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine

C9H14BrF4N — CID 130673738

IUPAC3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
SMILESCC1(C)C(Br)CCN1CC(F)(F)C(F)F
InChIInChI=1S/C9H14BrF4N/c1-8(2)6(10)3-4-15(8)5-9(13,14)7(11)12/h6-7H,3-5H2,1-2H3
InChIKeyLFJUMIZSFMSMNO-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.13
Rot. Bonds3

About 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine

3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine (PubChem CID 130673738) has the molecular formula C9H14BrF4N and a molecular weight of 292.11 g/mol. Its IUPAC name is 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
PubChem CID130673738
Molecular FormulaC9H14BrF4N
Molecular Weight292.11 g/mol
Exact Mass291.02
IUPAC Name3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
SMILESCC1(C)C(Br)CCN1CC(F)(F)C(F)F
InChIInChI=1S/C9H14BrF4N/c1-8(2)6(10)3-4-15(8)5-9(13,14)7(11)12/h6-7H,3-5H2,1-2H3
InChIKeyLFJUMIZSFMSMNO-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(2,2,3,3-tetrafluoropropyl)piperidin-2-one
CID 106292732
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130718541
3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 103815505
4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
CID 106294820
2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 112741495
1-[2-(3-bromo-2,2-dimethylpyrrolidin-1-yl)ethyl]imidazole
CID 130770772
3-bromo-1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylpyrrolidine
CID 130831781
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290691
1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
CID 103529328
N,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 106293338
1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
CID 130658724

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
The IUPAC name of 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine (CID 130673738) is 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine.
What is the SMILES notation for 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
The canonical SMILES for 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine is CC1(C)C(Br)CCN1CC(F)(F)C(F)F.
What is the InChIKey of 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
The InChIKey is LFJUMIZSFMSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrF4N/c1-8(2)6(10)3-4-15(8)5-9(13,14)7(11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine has a molecular weight of 292.11 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine is sourced from PubChem (CID 130673738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).