1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride

C12H15ClFNO — CID 13302047

IUPAC1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO.ClH/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14;/h3-6H,1-2,7-9H2;1H
InChIKeyHUZAHLCHFRYWBM-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride

1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride (PubChem CID 13302047) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
PubChem CID13302047
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO.ClH/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14;/h3-6H,1-2,7-9H2;1H
InChIKeyHUZAHLCHFRYWBM-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)ethanone
CID 43797022
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
4-[2-(4-fluorophenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889587
1-[1-(4-fluorophenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 53355379
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-[4-(chloromethyl)phenyl]-2-pyrrolidin-1-ylethanone
CID 154989452
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 103196893

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride (CID 13302047) is 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride is Cl.O=C(CN1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride?
The InChIKey is HUZAHLCHFRYWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO.ClH/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14;/h3-6H,1-2,7-9H2;1H.
What are the key properties of 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride?
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 13302047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).