[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone

C17H16FNO — CID 134955966

IUPAC[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C17H16FNO/c18-14-9-7-13(8-10-14)15-5-1-2-6-16(15)17(20)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
InChIKeySHVILPNBQUTIDB-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.73
Rot. Bonds2

About [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone

[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 134955966) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID134955966
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C17H16FNO/c18-14-9-7-13(8-10-14)15-5-1-2-6-16(15)17(20)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
InChIKeySHVILPNBQUTIDB-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[2-(4-fluorophenyl)phenyl]methanone
CID 25371442
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103
[2-(4-fluorophenyl)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70713781
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 123963220
[4-[(6-fluoronaphthalen-2-yl)methyl]-1,4-diazepan-1-yl]-(2-phenylphenyl)methanone
CID 45269377
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
[2-(4-fluorophenyl)-1H-indol-4-yl]-pyrrolidin-1-ylmethanone
CID 71428478
2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 55678885
9H-fluoren-4-yl(pyrrolidin-1-yl)methanone
CID 1214982
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone (CID 134955966) is [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1-c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SHVILPNBQUTIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-14-9-7-13(8-10-14)15-5-1-2-6-16(15)17(20)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2.
What are the key properties of [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone?
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 269.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134955966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).