7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one

C17H24FNO — CID 155564723

IUPAC7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C17H24FNO/c18-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)19-13-5-6-14-19/h9-12H,1-8,13-14H2
InChIKeyKSKZIBCRFKPPPK-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.94
Rot. Bonds7

About 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one

7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155564723) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155564723
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C17H24FNO/c18-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)19-13-5-6-14-19/h9-12H,1-8,13-14H2
InChIKeyKSKZIBCRFKPPPK-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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CID 17076
Brl-52656
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1,5-Dimethyl-3,3-diphenylpyrrolidin-2-one
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Spiro-carboxamide scaffold, 13
CID 44143299
3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1-yl]pentane-1,2-dione
CID 9798841
3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidin-1-yl]butane-1,2-dione
CID 9858678
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-[(4-Trifluoromethylphenyl)acetyl]-2-(1-pyrrolidinylmethyl)piperidine
CID 14810960
2-[2-(4-Fluorophenyl)-2-adamantyl]-1-pyrrolidin-1-ylethanone
CID 59336862
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-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one (CID 155564723) is 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is KSKZIBCRFKPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)19-13-5-6-14-19/h9-12H,1-8,13-14H2.
What are the key properties of 7-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one?
7-(4-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-(4-fluorophenyl)-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155564723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).