1-(3-amino-2,6-difluorophenyl)-2-chloroethanone

C8H6ClF2NO — CID 171017114

IUPAC1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
SMILESNc1ccc(F)c(C(=O)CCl)c1F
InChIInChI=1S/C8H6ClF2NO/c9-3-6(13)7-4(10)1-2-5(12)8(7)11/h1-2H,3,12H2
InChIKeyBEPWZWJZQYXXSN-UHFFFAOYSA-N
MW205.59 g/mol
LogP1.97
Rot. Bonds2

About 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone

1-(3-amino-2,6-difluorophenyl)-2-chloroethanone (PubChem CID 171017114) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
PubChem CID171017114
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
SMILESNc1ccc(F)c(C(=O)CCl)c1F
InChIInChI=1S/C8H6ClF2NO/c9-3-6(13)7-4(10)1-2-5(12)8(7)11/h1-2H,3,12H2
InChIKeyBEPWZWJZQYXXSN-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
CID 171016467
2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
CID 131349757
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
CID 171021253
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
(3-amino-2,6-difluorophenyl)-(2,5-difluorophenyl)methanone
CID 79773346
N-[4-[2-(3-amino-2,6-difluorophenyl)-2-oxoethyl]phenyl]acetamide
CID 146866561
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone?
The IUPAC name of 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone (CID 171017114) is 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone is Nc1ccc(F)c(C(=O)CCl)c1F.
What is the InChIKey of 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone?
The InChIKey is BEPWZWJZQYXXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c9-3-6(13)7-4(10)1-2-5(12)8(7)11/h1-2H,3,12H2.
What are the key properties of 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone?
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone has a molecular weight of 205.59 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,6-difluorophenyl)-2-chloroethanone is sourced from PubChem (CID 171017114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).