1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one

C15H20ClFO — CID 103052605

IUPAC1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one
SMILESCCCCC(CC)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H20ClFO/c1-3-5-6-11(4-2)15(18)10-12-9-13(16)7-8-14(12)17/h7-9,11H,3-6,10H2,1-2H3
InChIKeyJCBHJIUXYMQWCK-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.81
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one

1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one (PubChem CID 103052605) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one
PubChem CID103052605
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one
SMILESCCCCC(CC)C(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H20ClFO/c1-3-5-6-11(4-2)15(18)10-12-9-13(16)7-8-14(12)17/h7-9,11H,3-6,10H2,1-2H3
InChIKeyJCBHJIUXYMQWCK-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(5-fluoro-2-methylphenyl)heptan-2-one
CID 105376810
3-ethyl-1-(3-fluorophenyl)heptan-2-one
CID 61079356
1-(5-chloro-2-fluorophenyl)-3-methoxy-4-methylpentan-2-one
CID 103048145
1-(5-chloro-2-fluorophenyl)-3-methoxybutan-2-one
CID 103048080
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772
4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
CID 103052461
1,3-dichlorobenzene;2-ethylnonanethioic S-acid
CID 157216312
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-[(5-chloro-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186572
1-(5-chloro-1-benzofuran-2-yl)-2-ethylhexan-1-one
CID 115808509
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one (CID 103052605) is 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one is CCCCC(CC)C(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one?
The InChIKey is JCBHJIUXYMQWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-3-5-6-11(4-2)15(18)10-12-9-13(16)7-8-14(12)17/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one?
1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one has a molecular weight of 270.77 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one is sourced from PubChem (CID 103052605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).