5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one

C11H13ClFNO — CID 105396458

IUPAC5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
SMILESNCCCCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c12-10-5-4-8(13)7-9(10)11(15)3-1-2-6-14/h4-5,7H,1-3,6,14H2
InChIKeyWCSRSJXOCVUVIA-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.79
Rot. Bonds5

About 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one

5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one (PubChem CID 105396458) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one.

Molecular Properties

Compound Name5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
PubChem CID105396458
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
SMILESNCCCCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c12-10-5-4-8(13)7-9(10)11(15)3-1-2-6-14/h4-5,7H,1-3,6,14H2
InChIKeyWCSRSJXOCVUVIA-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
CID 105396768
4-amino-1-(2-amino-4-fluorophenyl)butan-1-one
CID 105449885
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
7-amino-1-(6-chloro-2,3-difluorophenyl)heptan-1-one
CID 114275318
8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid
CID 24727118
1-(2,5-difluorophenyl)-4-hydroxybutan-1-one
CID 70946452
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one?
The IUPAC name of 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one (CID 105396458) is 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one.
What is the SMILES notation for 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one?
The canonical SMILES for 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one is NCCCCC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one?
The InChIKey is WCSRSJXOCVUVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-5-4-8(13)7-9(10)11(15)3-1-2-6-14/h4-5,7H,1-3,6,14H2.
What are the key properties of 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one?
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one has a molecular weight of 229.68 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one is sourced from PubChem (CID 105396458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).