1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine

C11H13BrFN — CID 70699630

IUPAC1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(Br)c1CN1CCCC1
InChIInChI=1S/C11H13BrFN/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2
InChIKeyNVOMRWKMVDLILJ-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.18
Rot. Bonds2

About 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine

1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine (PubChem CID 70699630) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
PubChem CID70699630
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(Br)c1CN1CCCC1
InChIInChI=1S/C11H13BrFN/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2
InChIKeyNVOMRWKMVDLILJ-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
2-(azocan-1-ylmethyl)-3-bromoaniline
CID 43349679
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
(3aS,6aR)-5-[(2-bromo-6-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846044
1-(2-chloroethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane
CID 63387643
1-[(2-bromo-6-chlorophenyl)methyl]-4-methylpiperazine
CID 125115938
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2-fluoro-6-propan-2-yloxyphenyl)methyl]piperidine
CID 139472444
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988
4-bromo-1-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 55464560

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine (CID 70699630) is 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine is Fc1cccc(Br)c1CN1CCCC1.
What is the InChIKey of 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine?
The InChIKey is NVOMRWKMVDLILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h3-5H,1-2,6-8H2.
What are the key properties of 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine?
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 70699630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).