1-(4-bromophenyl)pentan-1-one;2-fluoropropane

C14H20BrFO — CID 143849337

IUPAC1-(4-bromophenyl)pentan-1-one;2-fluoropropane
SMILESCC(C)F.CCCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO.C3H7F/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;1-3(2)4/h5-8H,2-4H2,1H3;3H,1-2H3
InChIKeyOPRHSFBBNWPHPR-UHFFFAOYSA-N
MW303.22 g/mol
LogP5.19
Rot. Bonds4

About 1-(4-bromophenyl)pentan-1-one;2-fluoropropane

1-(4-bromophenyl)pentan-1-one;2-fluoropropane (PubChem CID 143849337) has the molecular formula C14H20BrFO and a molecular weight of 303.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)pentan-1-one;2-fluoropropane.

Molecular Properties

Compound Name1-(4-bromophenyl)pentan-1-one;2-fluoropropane
PubChem CID143849337
Molecular FormulaC14H20BrFO
Molecular Weight303.22 g/mol
Exact Mass302.07
IUPAC Name1-(4-bromophenyl)pentan-1-one;2-fluoropropane
SMILESCC(C)F.CCCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO.C3H7F/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;1-3(2)4/h5-8H,2-4H2,1H3;3H,1-2H3
InChIKeyOPRHSFBBNWPHPR-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.22
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)pentan-1-one;2-fluoropropane?
The IUPAC name of 1-(4-bromophenyl)pentan-1-one;2-fluoropropane (CID 143849337) is 1-(4-bromophenyl)pentan-1-one;2-fluoropropane.
What is the SMILES notation for 1-(4-bromophenyl)pentan-1-one;2-fluoropropane?
The canonical SMILES for 1-(4-bromophenyl)pentan-1-one;2-fluoropropane is CC(C)F.CCCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)pentan-1-one;2-fluoropropane?
The InChIKey is OPRHSFBBNWPHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO.C3H7F/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;1-3(2)4/h5-8H,2-4H2,1H3;3H,1-2H3.
What are the key properties of 1-(4-bromophenyl)pentan-1-one;2-fluoropropane?
1-(4-bromophenyl)pentan-1-one;2-fluoropropane has a molecular weight of 303.22 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)pentan-1-one;2-fluoropropane is sourced from PubChem (CID 143849337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).