5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one

C13H18FNO — CID 116910606

IUPAC5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C13H18FNO/c1-10(16)4-9-13(15(2)3)11-5-7-12(14)8-6-11/h5-8,13H,4,9H2,1-3H3
InChIKeyUMCPBLZGALFYAM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.80
Rot. Bonds5

About 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one

5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one (PubChem CID 116910606) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one
PubChem CID116910606
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one
SMILESCC(=O)CCC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C13H18FNO/c1-10(16)4-9-13(15(2)3)11-5-7-12(14)8-6-11/h5-8,13H,4,9H2,1-3H3
InChIKeyUMCPBLZGALFYAM-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-5-(4-fluorophenyl)pentan-2-one
CID 82126925
5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
CID 116910664
5-[1-(dimethylamino)-4-oxopentyl]-3H-1,3-benzoxazol-2-one
CID 116910669
5-(5-bromo-2-fluorophenyl)-5-(dimethylamino)pentan-2-one
CID 116910671
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
4-(dimethylamino)-4-(4-methylphenyl)butan-2-one
CID 82126356
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928
2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
CID 110825230
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
4-(2,5-difluorophenyl)-4-(dimethylamino)butanoic acid
CID 82386520
N-[bis(4-fluorophenyl)methyl]-N-methylacetamide
CID 22660932

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one?
The IUPAC name of 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one (CID 116910606) is 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one.
What is the SMILES notation for 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one?
The canonical SMILES for 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one is CC(=O)CCC(c1ccc(F)cc1)N(C)C.
What is the InChIKey of 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one?
The InChIKey is UMCPBLZGALFYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(16)4-9-13(15(2)3)11-5-7-12(14)8-6-11/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one?
5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one has a molecular weight of 223.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-(4-fluorophenyl)pentan-2-one is sourced from PubChem (CID 116910606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).