1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one

C14H18ClFO — CID 82920197

IUPAC1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
SMILESCCC(CC)CC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFO/c1-3-10(4-2)8-11(17)9-12-13(15)6-5-7-14(12)16/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeySZUVJYTWMOOVPH-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.42
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one

1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one (PubChem CID 82920197) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
PubChem CID82920197
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
SMILESCCC(CC)CC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFO/c1-3-10(4-2)8-11(17)9-12-13(15)6-5-7-14(12)16/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeySZUVJYTWMOOVPH-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
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1-(2-chloro-6-fluorophenyl)-3-methoxypentan-2-one
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1-(2-chloro-6-fluorophenyl)-5-methylhex-5-en-2-one
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1-(2-chloro-6-fluorophenyl)-4-(dimethylamino)butan-2-one
CID 115345698
1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
1-(2-chloro-6-fluorophenyl)-4-(propan-2-ylamino)butan-2-one
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1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
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ethyl 4-(2-chloro-6-fluorophenyl)-2-ethyl-3-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one (CID 82920197) is 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one is CCC(CC)CC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one?
The InChIKey is SZUVJYTWMOOVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c1-3-10(4-2)8-11(17)9-12-13(15)6-5-7-14(12)16/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one?
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one has a molecular weight of 256.75 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one is sourced from PubChem (CID 82920197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).