4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one

C11H13F2NO — CID 116596554

IUPAC4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO/c1-7(6-14)5-10(15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6,14H2,1H3
InChIKeyDGAWPVNFMTXAPL-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one

4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one (PubChem CID 116596554) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
PubChem CID116596554
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one
SMILESCC(CN)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO/c1-7(6-14)5-10(15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6,14H2,1H3
InChIKeyDGAWPVNFMTXAPL-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317
3-(aminomethyl)-1-(2,6-difluorophenyl)-5-methylhexan-1-one
CID 116576864
4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540
6-amino-1-(2,6-difluorophenyl)-4-methylhexan-1-one
CID 116581594
(2R)-2-amino-4-(2,6-difluorophenyl)-4-oxobutanoic acid
CID 106702770
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
4-amino-3-methyl-1-(2,3,4-trifluorophenyl)butan-1-one
CID 116596674
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
5-amino-1-(2-chloro-6-fluorophenyl)-4-methylpentan-2-one
CID 116596491
4-amino-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-one
CID 116596644
5-amino-1-(2,6-difluorophenyl)hexan-1-one
CID 116610101
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one (CID 116596554) is 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one is CC(CN)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one?
The InChIKey is DGAWPVNFMTXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(6-14)5-10(15)11-8(12)3-2-4-9(11)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one?
4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one has a molecular weight of 213.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,6-difluorophenyl)-3-methylbutan-1-one is sourced from PubChem (CID 116596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).