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

C16H22FNO — CID 112702471

IUPAC(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C16H22FNO/c1-4-16(5-2)8-9-18(11-16)15(19)14-7-6-13(17)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyNPTONCHDFCLBDQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.79
Rot. Bonds3

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

(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 112702471) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID112702471
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C16H22FNO/c1-4-16(5-2)8-9-18(11-16)15(19)14-7-6-13(17)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyNPTONCHDFCLBDQ-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830121
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820490
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
3-amino-1-(4-fluoro-2-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107323009
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2-bromo-5-methylphenyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81110144
(4-fluoro-2-methylphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 91829336
(2R)-6-(4-fluoro-2-methylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469820
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
(4-fluoro-2-methylphenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476426

Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone (CID 112702471) is (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone is CCC1(CC)CCN(C(=O)c2ccc(F)cc2C)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is NPTONCHDFCLBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-4-16(5-2)8-9-18(11-16)15(19)14-7-6-13(17)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 263.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 112702471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).