[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone

C17H14BrF2NO — CID 170459978

IUPAC[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(-c2ccccc2Br)c1)N1CCC(F)(F)C1
InChIInChI=1S/C17H14BrF2NO/c18-15-7-2-1-6-14(15)12-4-3-5-13(10-12)16(22)21-9-8-17(19,20)11-21/h1-7,10H,8-9,11H2
InChIKeyUVZWPDNVDODKEJ-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.60
Rot. Bonds2

About [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone

[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 170459978) has the molecular formula C17H14BrF2NO and a molecular weight of 366.21 g/mol. Its IUPAC name is [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID170459978
Molecular FormulaC17H14BrF2NO
Molecular Weight366.21 g/mol
Exact Mass365.02
IUPAC Name[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(-c2ccccc2Br)c1)N1CCC(F)(F)C1
InChIInChI=1S/C17H14BrF2NO/c18-15-7-2-1-6-14(15)12-4-3-5-13(10-12)16(22)21-9-8-17(19,20)11-21/h1-7,10H,8-9,11H2
InChIKeyUVZWPDNVDODKEJ-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 170459985
(3-bromo-4-methylsulfonylphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 175686516
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone
CID 171396749
(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155490138
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
1-[3-(2-ethoxyphenyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529326
[3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50779040
[3-(2-fluorophenyl)phenyl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 131896204
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(2-fluorophenyl)phenyl]methanone
CID 131950577

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 170459978) is [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(c1cccc(-c2ccccc2Br)c1)N1CCC(F)(F)C1.
What is the InChIKey of [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is UVZWPDNVDODKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF2NO/c18-15-7-2-1-6-14(15)12-4-3-5-13(10-12)16(22)21-9-8-17(19,20)11-21/h1-7,10H,8-9,11H2.
What are the key properties of [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 366.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 170459978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).