(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone

C14H18FNO — CID 112702642

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H18FNO/c1-10-9-11(15)5-6-12(10)13(17)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyQOWXOIUUCSCWSJ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.15
Rot. Bonds1

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

(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 112702642) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID112702642
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H18FNO/c1-10-9-11(15)5-6-12(10)13(17)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyQOWXOIUUCSCWSJ-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820490
(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63215793
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702471
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 63218627
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
(4-bromo-2-methoxyphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 113296065

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone (CID 112702642) is (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)N1CCCC1(C)C.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is QOWXOIUUCSCWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-9-11(15)5-6-12(10)13(17)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 112702642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).