4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one

C12H15ClFNO — CID 103052461

IUPAC4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFNO/c1-2-10(15)7-11(16)6-8-5-9(13)3-4-12(8)14/h3-5,10H,2,6-7,15H2,1H3
InChIKeyXCRKDWGVMIMKDC-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.72
Rot. Bonds5

About 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one

4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one (PubChem CID 103052461) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one.

Molecular Properties

Compound Name4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
PubChem CID103052461
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFNO/c1-2-10(15)7-11(16)6-8-5-9(13)3-4-12(8)14/h3-5,10H,2,6-7,15H2,1H3
InChIKeyXCRKDWGVMIMKDC-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
CID 114863569
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
4-amino-1-(3-chlorophenyl)hexan-2-one
CID 116609053
1-[(5-chloro-2-fluorophenyl)methylsulfinyl]butan-2-amine
CID 103051950
4-amino-1-(4-bromo-2-chlorophenyl)hexan-2-one
CID 116609050
1-(5-chloro-2-fluorophenyl)-3-propylsulfanylpropan-2-one
CID 103048010
4-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-one
CID 116606347
1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
CID 103052423
1-(5-chloro-2-fluorophenyl)-5-methylhexan-3-one
CID 103047172
diethyl 2-[(5-chloro-2-fluorophenyl)methyl]propanedioate
CID 15707363
1-(5-chloro-2-fluorophenyl)-3-ethylheptan-2-one
CID 103052605
1-(2-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 149183535

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one?
The IUPAC name of 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one (CID 103052461) is 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one.
What is the SMILES notation for 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one?
The canonical SMILES for 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one is CCC(N)CC(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one?
The InChIKey is XCRKDWGVMIMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-10(15)7-11(16)6-8-5-9(13)3-4-12(8)14/h3-5,10H,2,6-7,15H2,1H3.
What are the key properties of 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one?
4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one has a molecular weight of 243.71 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-2-fluorophenyl)hexan-2-one is sourced from PubChem (CID 103052461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).