2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine

C9H15BrF3N — CID 102785415

IUPAC2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC1CCN(CCC(F)(F)F)C1CBr
InChIInChI=1S/C9H15BrF3N/c1-7-2-4-14(8(7)6-10)5-3-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyXGQFOEDXOKUONO-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.04
Rot. Bonds3

About 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine

2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 102785415) has the molecular formula C9H15BrF3N and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID102785415
Molecular FormulaC9H15BrF3N
Molecular Weight274.12 g/mol
Exact Mass273.03
IUPAC Name2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESCC1CCN(CCC(F)(F)F)C1CBr
InChIInChI=1S/C9H15BrF3N/c1-7-2-4-14(8(7)6-10)5-3-9(11,12)13/h7-8H,2-6H2,1H3
InChIKeyXGQFOEDXOKUONO-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-1-(trifluoromethyl)pyrrolidine
CID 67977157
1-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 128108663
1,2-Dimethyl-3-(trifluoromethyl)pyrrolidine
CID 130693557
4-(Bromomethyl)-1-tert-butyl-2-(trifluoromethyl)pyrrolidine
CID 139490741
(3R)-3-ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidine
CID 145423428
2-(Difluoromethyl)-3-ethyl-1-methylpyrrolidine
CID 146488485
4-Ethyl-3,3-difluoro-1-propan-2-ylpyrrolidine
CID 154671358
3-(2,2-Difluoroethyl)-1-propan-2-ylpyrrolidine
CID 157032259
(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
CID 166827774
(3S)-1,2-dimethyl-3-(trifluoromethyl)pyrrolidine
CID 170012308
(3R)-1,2-dimethyl-3-(trifluoromethyl)pyrrolidine
CID 170012309
(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
CID 176755843

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine (CID 102785415) is 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine is CC1CCN(CCC(F)(F)F)C1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is XGQFOEDXOKUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3N/c1-7-2-4-14(8(7)6-10)5-3-9(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine?
2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 274.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 102785415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).