1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine

C7H10BrF4N — CID 130647566

IUPAC1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine
SMILESFC1(F)CN(CCCBr)CC1(F)F
InChIInChI=1S/C7H10BrF4N/c8-2-1-3-13-4-6(9,10)7(11,12)5-13/h1-5H2
InChIKeyJXBXQKRCHREPOA-UHFFFAOYSA-N
MW264.06 g/mol
LogP2.36
Rot. Bonds3

About 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine

1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine (PubChem CID 130647566) has the molecular formula C7H10BrF4N and a molecular weight of 264.06 g/mol. Its IUPAC name is 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine.

Molecular Properties

Compound Name1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine
PubChem CID130647566
Molecular FormulaC7H10BrF4N
Molecular Weight264.06 g/mol
Exact Mass262.99
IUPAC Name1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine
SMILESFC1(F)CN(CCCBr)CC1(F)F
InChIInChI=1S/C7H10BrF4N/c8-2-1-3-13-4-6(9,10)7(11,12)5-13/h1-5H2
InChIKeyJXBXQKRCHREPOA-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.36
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

1-(3-bromopropyl)pyrrolidine
CID 13034044
4-(5-bromopentyl)-2,2,6,6-tetramethylmorpholine
CID 102745281
3-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propanethioamide
CID 130663045
1-(3-bromopropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62968303
4-(3-bromopropyl)morpholine
CID 13034048
3-ethyl-3-fluoro-1-pentylazetidine
CID 174282270
ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
CID 144847221
3-bromo-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)propan-1-one
CID 130698703
1-(9-bromononyl)-4-methylpiperazine
CID 105343553
5-bromo-1-(3-bromopropyl)-3,6-dihydro-2H-pyridine
CID 164656282
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
1-(9-bromononyl)-4,4-diethylpiperidine
CID 105343769

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine?
The IUPAC name of 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine (CID 130647566) is 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine.
What is the SMILES notation for 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine?
The canonical SMILES for 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine is FC1(F)CN(CCCBr)CC1(F)F.
What is the InChIKey of 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine?
The InChIKey is JXBXQKRCHREPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF4N/c8-2-1-3-13-4-6(9,10)7(11,12)5-13/h1-5H2.
What are the key properties of 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine?
1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine has a molecular weight of 264.06 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-3,3,4,4-tetrafluoropyrrolidine is sourced from PubChem (CID 130647566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).