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

C12H15ClFNO — CID 114863569

IUPAC4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO/c1-2-10(15)7-11(16)5-8-3-4-9(13)6-12(8)14/h3-4,6,10H,2,5,7,15H2,1H3
InChIKeyBCTYVNOHJKSZGJ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.72
Rot. Bonds5

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

4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one (PubChem CID 114863569) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
PubChem CID114863569
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO/c1-2-10(15)7-11(16)5-8-3-4-9(13)6-12(8)14/h3-4,6,10H,2,5,7,15H2,1H3
InChIKeyBCTYVNOHJKSZGJ-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-(5-chloro-2-fluorophenyl)hexan-2-one
CID 103052461
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
CID 114863568
4-amino-1-(3-chlorophenyl)hexan-2-one
CID 116609053
4-amino-1-(4-bromo-2-chlorophenyl)hexan-2-one
CID 116609050
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-amino-1-(2,4-difluorophenyl)-6,6-dimethylheptan-2-one
CID 116614717
5-amino-1-(4-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 114863343
1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one?
The IUPAC name of 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one (CID 114863569) is 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one.
What is the SMILES notation for 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one?
The canonical SMILES for 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one is CCC(N)CC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one?
The InChIKey is BCTYVNOHJKSZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-10(15)7-11(16)5-8-3-4-9(13)6-12(8)14/h3-4,6,10H,2,5,7,15H2,1H3.
What are the key properties of 4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one?
4-amino-1-(4-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-(4-chloro-2-fluorophenyl)hexan-2-one is sourced from PubChem (CID 114863569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).