1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone

C12H14FNO — CID 143019246

IUPAC1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1cc(C(C)=O)c(N)c(F)c1C
InChIInChI=1S/C12H14FNO/c1-6(2)9-5-10(8(4)15)12(14)11(13)7(9)3/h5H,1,14H2,2-4H3
InChIKeyCPKZSUGSSAYCJN-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.95
Rot. Bonds2

About 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone

1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone (PubChem CID 143019246) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone
PubChem CID143019246
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone
SMILESC=C(C)c1cc(C(C)=O)c(N)c(F)c1C
InChIInChI=1S/C12H14FNO/c1-6(2)9-5-10(8(4)15)12(14)11(13)7(9)3/h5H,1,14H2,2-4H3
InChIKeyCPKZSUGSSAYCJN-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone;2-fluoro-4-(2-iodoethynyl)-1-methylbenzene
CID 143019244
1-[4-amino-5-[cyclopropylidene(hydroxy)methyl]-3-fluoro-2-methylphenyl]ethanone
CID 143019282
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
1-(3,4,5-trifluoro-2-methylphenyl)ethanone
CID 20552321
4-amino-3-fluoro-2,5-dimethylbenzoic acid
CID 84768928
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline
CID 146613019
1,3-difluoro-4-methyl-2-nitro-5-prop-1-en-2-ylbenzene
CID 147694949
1-(4-fluoro-2,3-dimethylphenyl)ethanone
CID 118993213
1-(3-amino-4-iodo-2-methylphenyl)ethanone
CID 171027183
1-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
1-(3,5-diacetyl-4-aminophenyl)ethanone
CID 172790356

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone (CID 143019246) is 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone is C=C(C)c1cc(C(C)=O)c(N)c(F)c1C.
What is the InChIKey of 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone?
The InChIKey is CPKZSUGSSAYCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-6(2)9-5-10(8(4)15)12(14)11(13)7(9)3/h5H,1,14H2,2-4H3.
What are the key properties of 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone?
1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone is sourced from PubChem (CID 143019246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).