7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one

C17H24FNO — CID 155530914

IUPAC7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C17H24FNO/c18-16-10-7-9-15(14-16)8-3-1-2-4-11-17(20)19-12-5-6-13-19/h7,9-10,14H,1-6,8,11-13H2
InChIKeyANZSYCFXXQMUCK-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.94
Rot. Bonds7

About 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one

7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155530914) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155530914
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C17H24FNO/c18-16-10-7-9-15(14-16)8-3-1-2-4-11-17(20)19-12-5-6-13-19/h7,9-10,14H,1-6,8,11-13H2
InChIKeyANZSYCFXXQMUCK-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Brl-52656
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Spiro-carboxamide scaffold, 13
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3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]pentane-1,2-dione
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3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidin-1-yl]butane-1,2-dione
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3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-[(4-Trifluoromethylphenyl)acetyl]-2-(1-pyrrolidinylmethyl)piperidine
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2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
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N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
2-Phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
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CID 6465185

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one (CID 155530914) is 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1cccc(F)c1)N1CCCC1.
What is the InChIKey of 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is ANZSYCFXXQMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-16-10-7-9-15(14-16)8-3-1-2-4-11-17(20)19-12-5-6-13-19/h7,9-10,14H,1-6,8,11-13H2.
What are the key properties of 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155530914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).