(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone

C11H9Br2F2NO — CID 155289431

IUPAC(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCC(F)(F)C1
InChIInChI=1S/C11H9Br2F2NO/c12-8-3-7(4-9(13)5-8)10(17)16-2-1-11(14,15)6-16/h3-5H,1-2,6H2
InChIKeyVRHPDYILBGXVEA-UHFFFAOYSA-N
MW369.00 g/mol
LogP3.69
Rot. Bonds1

About (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone

(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 155289431) has the molecular formula C11H9Br2F2NO and a molecular weight of 369.00 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID155289431
Molecular FormulaC11H9Br2F2NO
Molecular Weight369.00 g/mol
Exact Mass366.90
IUPAC Name(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)N1CCC(F)(F)C1
InChIInChI=1S/C11H9Br2F2NO/c12-8-3-7(4-9(13)5-8)10(17)16-2-1-11(14,15)6-16/h3-5H,1-2,6H2
InChIKeyVRHPDYILBGXVEA-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.00
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
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1-(3-bromo-5-fluorobenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258893
(3-bromo-4-methylsulfonylphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 175686516
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155490138
(3-bromo-5-methylphenyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 99631542
2-(3,3-difluoropyrrolidine-1-carbonyl)-3,5-difluorobenzonitrile
CID 135305016
(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 168679949
(3,5-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107973077
(3-bromo-5-fluoro-4-methylphenyl)-(4,4-difluoropiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 155289431) is (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(c1cc(Br)cc(Br)c1)N1CCC(F)(F)C1.
What is the InChIKey of (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is VRHPDYILBGXVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2F2NO/c12-8-3-7(4-9(13)5-8)10(17)16-2-1-11(14,15)6-16/h3-5H,1-2,6H2.
What are the key properties of (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 369.00 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 155289431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).