1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine

C11H12BrF2N — CID 130640812

IUPAC1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(Cc2ccccc2Br)C1
InChIInChI=1S/C11H12BrF2N/c12-10-4-2-1-3-9(10)7-15-6-5-11(13,14)8-15/h1-4H,5-8H2
InChIKeyRLXZNNJJFRMWIV-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.29
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine

1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine (PubChem CID 130640812) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine
PubChem CID130640812
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(Cc2ccccc2Br)C1
InChIInChI=1S/C11H12BrF2N/c12-10-4-2-1-3-9(10)7-15-6-5-11(13,14)8-15/h1-4H,5-8H2
InChIKeyRLXZNNJJFRMWIV-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine (CID 130640812) is 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine is FC1(F)CCN(Cc2ccccc2Br)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine?
The InChIKey is RLXZNNJJFRMWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-10-4-2-1-3-9(10)7-15-6-5-11(13,14)8-15/h1-4H,5-8H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine?
1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine has a molecular weight of 276.12 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 130640812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).