(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

C15H20FNO2 — CID 103830121

IUPAC(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(F)cc2O)C1
InChIInChI=1S/C15H20FNO2/c1-3-15(4-2)7-8-17(10-15)14(19)12-6-5-11(16)9-13(12)18/h5-6,9,18H,3-4,7-8,10H2,1-2H3
InChIKeyWFRKSUPWKQRPRW-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.18
Rot. Bonds3

About (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone

(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 103830121) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID103830121
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(F)cc2O)C1
InChIInChI=1S/C15H20FNO2/c1-3-15(4-2)7-8-17(10-15)14(19)12-6-5-11(16)9-13(12)18/h5-6,9,18H,3-4,7-8,10H2,1-2H3
InChIKeyWFRKSUPWKQRPRW-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
(3,3-diethylpyrrolidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 103890618
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
(7,7-dimethyl-1,4-thiazepan-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 107300693
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
(2,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103892619
(4-fluoro-2-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 106812740
(2-bromo-5-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81110144
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
(4-fluoro-2-hydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107015715

Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone (CID 103830121) is (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone is CCC1(CC)CCN(C(=O)c2ccc(F)cc2O)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is WFRKSUPWKQRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(4-2)7-8-17(10-15)14(19)12-6-5-11(16)9-13(12)18/h5-6,9,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone?
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 103830121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).