3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine

C14H18BrF2N — CID 169239119

IUPAC3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine
SMILESFC(F)CCN1CCC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrF2N/c15-13-3-1-11(2-4-13)9-12-5-7-18(10-12)8-6-14(16)17/h1-4,12,14H,5-10H2
InChIKeyKFMDWTDEXKTFRF-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.97
Rot. Bonds5

About 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine

3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine (PubChem CID 169239119) has the molecular formula C14H18BrF2N and a molecular weight of 318.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine
PubChem CID169239119
Molecular FormulaC14H18BrF2N
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine
SMILESFC(F)CCN1CCC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrF2N/c15-13-3-1-11(2-4-13)9-12-5-7-18(10-12)8-6-14(16)17/h1-4,12,14H,5-10H2
InChIKeyKFMDWTDEXKTFRF-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
1-(4-Bromobenzyl)pyrrolidine
CID 12738004
[2-(4-Bromo-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10470688
3-[(4-Bromophenyl)-difluoro-methyl]azetidine
CID 105514406
4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10634535
3-(4-Bromophenyl)pyrrolidine hydrochloride
CID 53407708
3-((4-Bromophenyl)methyl)pyrrolidine
CID 60145902
3-((4-Bromophenyl)methyl)pyrrolidine hydrochloride
CID 77134762
3-(4-bromophenyl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 49796647
1-(4-Bromo-2-fluorobenzyl)pyrrolidine
CID 22266723
2-(4-Bromophenyl)-N,N-diethylethanamine
CID 22266707
N-[2-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 60997763

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine (CID 169239119) is 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine is FC(F)CCN1CCC(Cc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine?
The InChIKey is KFMDWTDEXKTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c15-13-3-1-11(2-4-13)9-12-5-7-18(10-12)8-6-14(16)17/h1-4,12,14H,5-10H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine?
3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine has a molecular weight of 318.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-(3,3-difluoropropyl)pyrrolidine is sourced from PubChem (CID 169239119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).