2-amino-1-(2-ethyl-5-fluorophenyl)ethanone

C10H12FNO — CID 84768395

IUPAC2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
SMILESCCc1ccc(F)cc1C(=O)CN
InChIInChI=1S/C10H12FNO/c1-2-7-3-4-8(11)5-9(7)10(13)6-12/h3-5H,2,6,12H2,1H3
InChIKeyQZZVSZFIFQSEPR-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone

2-amino-1-(2-ethyl-5-fluorophenyl)ethanone (PubChem CID 84768395) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
PubChem CID84768395
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
SMILESCCc1ccc(F)cc1C(=O)CN
InChIInChI=1S/C10H12FNO/c1-2-7-3-4-8(11)5-9(7)10(13)6-12/h3-5H,2,6,12H2,1H3
InChIKeyQZZVSZFIFQSEPR-UHFFFAOYSA-N
XLogP1.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
3-bromo-1-(2-ethyl-4-fluorophenyl)propan-1-one
CID 134624566
2-(3,4-diethylphenyl)-5-fluorobenzoic acid
CID 115482491
2-ethyl-5-fluoro-N-(5-methyl-1H-imidazol-2-yl)benzamide
CID 167874192
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone?
The IUPAC name of 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone (CID 84768395) is 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone is CCc1ccc(F)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone?
The InChIKey is QZZVSZFIFQSEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-7-3-4-8(11)5-9(7)10(13)6-12/h3-5H,2,6,12H2,1H3.
What are the key properties of 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone?
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone has a molecular weight of 181.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethyl-5-fluorophenyl)ethanone is sourced from PubChem (CID 84768395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).