1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate

C5H6F6N2O2 — CID 174657461

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6N2O2/c1-13(12)3(14)15-2(4(6,7)8)5(9,10)11/h2H,12H2,1H3
InChIKeyDLQFNXBXBMLGGL-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.42
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate

1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate (PubChem CID 174657461) has the molecular formula C5H6F6N2O2 and a molecular weight of 240.10 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate
PubChem CID174657461
Molecular FormulaC5H6F6N2O2
Molecular Weight240.10 g/mol
Exact Mass240.03
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6N2O2/c1-13(12)3(14)15-2(4(6,7)8)5(9,10)11/h2H,12H2,1H3
InChIKeyDLQFNXBXBMLGGL-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
CID 10959380
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2,3-bis(trimethylsilyl)butanedioate
CID 85253467
amino N-amino-N-methylcarbamate
CID 174563517
1,1,1,3,3,3-hexafluoropropan-2-yl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769570
1,1,1,3,3,3-hexafluoropropan-2-yl 3-methylbutanoate
CID 162592800
1,1,1,3,3,3-hexafluoropropan-2-yl 2-oxoacetate
CID 146341400
1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-ethylhexanoate
CID 125478870
1,1,1,3,3,3-hexafluoro-2-prop-1-en-2-yloxypropane
CID 147658691
1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-difluoro-3-oxopentanoate
CID 166734215
N,N-dimethylmethanamine;2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 171927796
1,1,1,3,3,3-hexafluoropropan-2-yl 2-hexyldecanoate
CID 146607097
1,1,1,3,3,3-hexafluoropropan-2-yl 2-iodoprop-2-enoate
CID 155054400

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate (CID 174657461) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate is CN(N)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate?
The InChIKey is DLQFNXBXBMLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6N2O2/c1-13(12)3(14)15-2(4(6,7)8)5(9,10)11/h2H,12H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate has a molecular weight of 240.10 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl N-amino-N-methylcarbamate is sourced from PubChem (CID 174657461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).