(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C12H14FNO2 — CID 81481180

IUPAC(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C12H14FNO2/c1-8-3-2-4-10(11(8)13)12(16)14-6-5-9(15)7-14/h2-4,9,15H,5-7H2,1H3
InChIKeyUMDDXJIMTXVHID-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.34
Rot. Bonds1

About (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 81481180) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID81481180
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C12H14FNO2/c1-8-3-2-4-10(11(8)13)12(16)14-6-5-9(15)7-14/h2-4,9,15H,5-7H2,1H3
InChIKeyUMDDXJIMTXVHID-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718141
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81478415
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
[3-(bromomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479115
1-[1-(2-fluoro-3-methylbenzoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 166178934
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 81481697

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 81481180) is (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is Cc1cccc(C(=O)N2CCC(O)C2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is UMDDXJIMTXVHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-3-2-4-10(11(8)13)12(16)14-6-5-9(15)7-14/h2-4,9,15H,5-7H2,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 81481180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).