methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate

C12H15F2NO2 — CID 115462288

IUPACmethyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCC(F)F
InChIInChI=1S/C12H15F2NO2/c1-17-12(16)6-9-4-2-3-5-10(9)7-15-8-11(13)14/h2-5,11,15H,6-8H2,1H3
InChIKeyAKLURCDZNRIMSV-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.76
Rot. Bonds6

About methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate

methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate (PubChem CID 115462288) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
PubChem CID115462288
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Namemethyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CNCC(F)F
InChIInChI=1S/C12H15F2NO2/c1-17-12(16)6-9-4-2-3-5-10(9)7-15-8-11(13)14/h2-5,11,15H,6-8H2,1H3
InChIKeyAKLURCDZNRIMSV-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[2-[[2-(carbamoylamino)ethylamino]methyl]phenyl]acetate
CID 83113830
methyl 2-[2-(2-oxopropyl)phenyl]acetate
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methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
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methyl 2-[2-[[2-(furan-2-yl)ethylamino]methyl]phenyl]acetate
CID 115461693
methyl 2-[2-[(4-chloroanilino)methyl]phenyl]acetate
CID 115461456
methyl 2-[2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]phenyl]acetate
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methyl 2-[2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenyl]acetate
CID 115461412
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
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CID 62390681

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate (CID 115462288) is methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CNCC(F)F.
What is the InChIKey of methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate?
The InChIKey is AKLURCDZNRIMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-17-12(16)6-9-4-2-3-5-10(9)7-15-8-11(13)14/h2-5,11,15H,6-8H2,1H3.
What are the key properties of methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate?
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate has a molecular weight of 243.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate is sourced from PubChem (CID 115462288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).