(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C12H14FNO2 — CID 103726936

IUPAC(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C12H14FNO2/c1-12(16)5-6-14(8-12)11(15)9-3-2-4-10(13)7-9/h2-4,7,16H,5-6,8H2,1H3
InChIKeySUZUVBMAIJCVGX-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.42
Rot. Bonds1

About (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103726936) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103726936
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C12H14FNO2/c1-12(16)5-6-14(8-12)11(15)9-3-2-4-10(13)7-9/h2-4,7,16H,5-6,8H2,1H3
InChIKeySUZUVBMAIJCVGX-UHFFFAOYSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113343512
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820490
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
[3-(3-fluorophenyl)phenyl]-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]methanone
CID 70712511
(3-fluorophenyl)-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 132649138
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3,3-dimethylpyrrolidin-1-yl)-(3-iodophenyl)methanone
CID 79036864
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103726936) is (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is SUZUVBMAIJCVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(16)5-6-14(8-12)11(15)9-3-2-4-10(13)7-9/h2-4,7,16H,5-6,8H2,1H3.
What are the key properties of (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103726936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).