3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one

C10H11ClFNO — CID 23388576

IUPAC3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one
SMILESCC(=O)C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO/c1-6(14)10(13)4-7-2-3-8(12)5-9(7)11/h2-3,5,10H,4,13H2,1H3
InChIKeyMRBYYSQYFKXXTR-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one

3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one (PubChem CID 23388576) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one
PubChem CID23388576
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one
SMILESCC(=O)C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO/c1-6(14)10(13)4-7-2-3-8(12)5-9(7)11/h2-3,5,10H,4,13H2,1H3
InChIKeyMRBYYSQYFKXXTR-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-4-phenyl-2-butanone
CID 409315
2-Amino-1-(4-chlorophenyl)propan-1-one hydrochloride
CID 211463
Phenylalanylmethylchloride
CID 4369560
7-Amino-1-chloro-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 56672292
3-Amino-1-chloro-4-phenylbutan-2-one
CID 1640
2-Amino-1-(4-chlorophenyl)butan-1-one hydrochloride
CID 2831613
3-Amino-4-phenylbutan-2-one hydrochloride
CID 13342250
2-Chloromethcathinone
CID 112693018
1-(2-Chlorophenyl)-2-(ethylamino)propan-1-one
CID 137699704
Phenylalanylmethane
CID 5289150
2-Amino-1-(4-chlorophenyl)propan-1-one
CID 211464
2-(2-Chloro-4-fluorophenyl)acetamide
CID 2773716

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one?
The IUPAC name of 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one (CID 23388576) is 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one.
What is the SMILES notation for 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one?
The canonical SMILES for 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one is CC(=O)C(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one?
The InChIKey is MRBYYSQYFKXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-6(14)10(13)4-7-2-3-8(12)5-9(7)11/h2-3,5,10H,4,13H2,1H3.
What are the key properties of 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one?
3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one has a molecular weight of 215.66 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-chloro-4-fluorophenyl)butan-2-one is sourced from PubChem (CID 23388576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).