[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate

C11H14F2N2O2 — CID 151059714

IUPAC[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cc(F)c(F)cc1N)OC(N)=O
InChIInChI=1S/C11H14F2N2O2/c1-11(2,17-10(15)16)5-6-3-7(12)8(13)4-9(6)14/h3-4H,5,14H2,1-2H3,(H2,15,16)
InChIKeyMFXFMKIHFWJCSQ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.96
Rot. Bonds3

About [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate

[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate (PubChem CID 151059714) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate
PubChem CID151059714
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cc(F)c(F)cc1N)OC(N)=O
InChIInChI=1S/C11H14F2N2O2/c1-11(2,17-10(15)16)5-6-3-7(12)8(13)4-9(6)14/h3-4H,5,14H2,1-2H3,(H2,15,16)
InChIKeyMFXFMKIHFWJCSQ-UHFFFAOYSA-N
XLogP1.96
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate (CID 151059714) is [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cc(F)c(F)cc1N)OC(N)=O.
What is the InChIKey of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is MFXFMKIHFWJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-11(2,17-10(15)16)5-6-3-7(12)8(13)4-9(6)14/h3-4H,5,14H2,1-2H3,(H2,15,16).
What are the key properties of [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate?
[1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 244.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4,5-difluorophenyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).