1-(4-bromophenyl)-4-fluorobutan-1-one

C10H10BrFO — CID 67476935

IUPAC1-(4-bromophenyl)-4-fluorobutan-1-one
SMILESO=C(CCCF)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrFO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7H2
InChIKeyHCQBZSAGRLIUER-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-bromophenyl)-4-fluorobutan-1-one

1-(4-bromophenyl)-4-fluorobutan-1-one (PubChem CID 67476935) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-fluorobutan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-fluorobutan-1-one
PubChem CID67476935
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-(4-bromophenyl)-4-fluorobutan-1-one
SMILESO=C(CCCF)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrFO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7H2
InChIKeyHCQBZSAGRLIUER-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-4-fluorobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
1-(4-bromophenyl)-4-tert-butylsulfanylbutan-1-one
CID 43218955
(2S)-2-amino-6-(4-bromophenyl)-6-oxohexanoic acid
CID 106702640
1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one
CID 62879669
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
tert-butyl 5-(4-bromophenyl)-5-oxopentanoate
CID 146502314
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128
4-benzylsulfinyl-1-(4-bromophenyl)butan-1-one
CID 64640256

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-fluorobutan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-fluorobutan-1-one (CID 67476935) is 1-(4-bromophenyl)-4-fluorobutan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-fluorobutan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-fluorobutan-1-one is O=C(CCCF)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-fluorobutan-1-one?
The InChIKey is HCQBZSAGRLIUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c11-9-5-3-8(4-6-9)10(13)2-1-7-12/h3-6H,1-2,7H2.
What are the key properties of 1-(4-bromophenyl)-4-fluorobutan-1-one?
1-(4-bromophenyl)-4-fluorobutan-1-one has a molecular weight of 245.09 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-fluorobutan-1-one is sourced from PubChem (CID 67476935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).