1-(2-bromophenyl)-3,3-difluoropyrrolidine

C10H10BrF2N — CID 115048930

IUPAC1-(2-bromophenyl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(c2ccccc2Br)C1
InChIInChI=1S/C10H10BrF2N/c11-8-3-1-2-4-9(8)14-6-5-10(12,13)7-14/h1-4H,5-7H2
InChIKeyNLLHUPSKCBKXTC-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.29
Rot. Bonds1

About 1-(2-bromophenyl)-3,3-difluoropyrrolidine

1-(2-bromophenyl)-3,3-difluoropyrrolidine (PubChem CID 115048930) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3,3-difluoropyrrolidine
PubChem CID115048930
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name1-(2-bromophenyl)-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(c2ccccc2Br)C1
InChIInChI=1S/C10H10BrF2N/c11-8-3-1-2-4-9(8)14-6-5-10(12,13)7-14/h1-4H,5-7H2
InChIKeyNLLHUPSKCBKXTC-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810692
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
3,3-difluoro-1-(2-propan-2-yloxyphenyl)pyrrolidine
CID 117007629
[1-(2-bromophenyl)-4-fluoroazepan-4-yl]methanamine
CID 115053446
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane
CID 117028760
2-[7-(2-bromophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanamine
CID 84606197
1-(2-bromophenyl)-4-(difluoromethyl)azepan-4-amine
CID 115055745
1-(2-bromophenyl)-3,3-dimethylpiperidin-4-ol
CID 117024252
[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
CID 115035536
1-(2-bromo-4-methylphenyl)-4,4-difluoropiperidine
CID 117007800
1-(4-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810728

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(2-bromophenyl)-3,3-difluoropyrrolidine (CID 115048930) is 1-(2-bromophenyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(2-bromophenyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(2-bromophenyl)-3,3-difluoropyrrolidine is FC1(F)CCN(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-3,3-difluoropyrrolidine?
The InChIKey is NLLHUPSKCBKXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-8-3-1-2-4-9(8)14-6-5-10(12,13)7-14/h1-4H,5-7H2.
What are the key properties of 1-(2-bromophenyl)-3,3-difluoropyrrolidine?
1-(2-bromophenyl)-3,3-difluoropyrrolidine has a molecular weight of 262.10 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 115048930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).