(4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone

C14H16BrF2NO — CID 169239702

IUPAC(4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1ccc(Br)cc1)C1CCN(CCC(F)F)C1
InChIInChI=1S/C14H16BrF2NO/c15-12-3-1-10(2-4-12)14(19)11-5-7-18(9-11)8-6-13(16)17/h1-4,11,13H,5-9H2
InChIKeyDUDINNCJDFOJJG-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.61
Rot. Bonds5

About (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone

(4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone (PubChem CID 169239702) has the molecular formula C14H16BrF2NO and a molecular weight of 332.19 g/mol. Its IUPAC name is (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone
PubChem CID169239702
Molecular FormulaC14H16BrF2NO
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name(4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone
SMILESO=C(c1ccc(Br)cc1)C1CCN(CCC(F)F)C1
InChIInChI=1S/C14H16BrF2NO/c15-12-3-1-10(2-4-12)14(19)11-5-7-18(9-11)8-6-13(16)17/h1-4,11,13H,5-9H2
InChIKeyDUDINNCJDFOJJG-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidine-3-carboxylic acid
CID 63031361
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
1-(3,3-difluoropropyl)azepane-4-carboxylic acid
CID 84686567
(4-bromocyclohexyl)-(4-bromophenyl)methanone
CID 58764697
(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
[(3S)-1-(4-ethoxybenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 57453518

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone (CID 169239702) is (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone is O=C(c1ccc(Br)cc1)C1CCN(CCC(F)F)C1.
What is the InChIKey of (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone?
The InChIKey is DUDINNCJDFOJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO/c15-12-3-1-10(2-4-12)14(19)11-5-7-18(9-11)8-6-13(16)17/h1-4,11,13H,5-9H2.
What are the key properties of (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone?
(4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone has a molecular weight of 332.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[1-(3,3-difluoropropyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 169239702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).