1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate

C7H9F6NO3 — CID 87169632

IUPAC1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO3/c1-14(3-16-2)5(15)17-6(10,4(8)9)7(11,12)13/h4H,3H2,1-2H3
InChIKeyFJVMRUYFVBZPMA-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.15
Rot. Bonds4

About 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate

1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate (PubChem CID 87169632) has the molecular formula C7H9F6NO3 and a molecular weight of 269.14 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate
PubChem CID87169632
Molecular FormulaC7H9F6NO3
Molecular Weight269.14 g/mol
Exact Mass269.05
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate
SMILESCOCN(C)C(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO3/c1-14(3-16-2)5(15)17-6(10,4(8)9)7(11,12)13/h4H,3H2,1-2H3
InChIKeyFJVMRUYFVBZPMA-UHFFFAOYSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate (CID 87169632) is 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate is COCN(C)C(=O)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate?
The InChIKey is FJVMRUYFVBZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO3/c1-14(3-16-2)5(15)17-6(10,4(8)9)7(11,12)13/h4H,3H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate?
1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate has a molecular weight of 269.14 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-yl N-(methoxymethyl)-N-methylcarbamate is sourced from PubChem (CID 87169632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).