(4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone

C17H16FNO — CID 704474

IUPAC(4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H16FNO/c18-15-7-3-13(4-8-15)17(20)14-5-9-16(10-6-14)19-11-1-2-12-19/h3-10H,1-2,11-12H2
InChIKeyDTDDIRRGKRCIBU-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.66
Rot. Bonds3

About (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone

(4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 704474) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID704474
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H16FNO/c18-15-7-3-13(4-8-15)17(20)14-5-9-16(10-6-14)19-11-1-2-12-19/h3-10H,1-2,11-12H2
InChIKeyDTDDIRRGKRCIBU-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-Dimethylaminochalcone
CID 5377268
Cyclopentanone, 2,5-bis[[4-(diethylamino)phenyl]methylene]-
CID 5702661
1-benzyl-2,3-dihydro-1H-indole-5-carbaldehyde
CID 927567
4-(Dimethylamino)benzophenone
CID 10737
4-Dimethylaminoacetophenone
CID 75037
2-(4-(Dimethylamino)benzylidene)-1-indanone
CID 5388521
Shellfish, unspecified
CID 584435
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-(1-Pyrrolidinyl)benzaldehyde
CID 104037
4-(4-Methyl-1-piperazinyl)acetophenone
CID 33551

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone (CID 704474) is (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is DTDDIRRGKRCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-7-3-13(4-8-15)17(20)14-5-9-16(10-6-14)19-11-1-2-12-19/h3-10H,1-2,11-12H2.
What are the key properties of (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone?
(4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 704474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).