(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

C14H18FNO2 — CID 113281661

IUPAC(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H18FNO2/c1-9(2)12-4-3-7-16(12)14(18)11-8-10(15)5-6-13(11)17/h5-6,8-9,12,17H,3-4,7H2,1-2H3
InChIKeyJWFFEJUOXMZFLB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.79
Rot. Bonds2

About (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 113281661) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID113281661
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C14H18FNO2/c1-9(2)12-4-3-7-16(12)14(18)11-8-10(15)5-6-13(11)17/h5-6,8-9,12,17H,3-4,7H2,1-2H3
InChIKeyJWFFEJUOXMZFLB-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 62734387
(3-hydroxy-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 81443348
[2-(3-chloropropyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299551
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 105386742
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
(5-fluoro-2-hydroxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738496
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(2-bromo-5-chlorophenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113230336

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone (CID 113281661) is (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCCN1C(=O)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is JWFFEJUOXMZFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(2)12-4-3-7-16(12)14(18)11-8-10(15)5-6-13(11)17/h5-6,8-9,12,17H,3-4,7H2,1-2H3.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113281661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).