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

C6H7F6NO3 — CID 150877520

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate
SMILESCON(C)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO3/c1-13(15-2)4(14)16-3(5(7,8)9)6(10,11)12/h3H,1-2H3
InChIKeyKVHSKKABTFYDDH-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.11
Rot. Bonds2

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

1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate (PubChem CID 150877520) has the molecular formula C6H7F6NO3 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate
PubChem CID150877520
Molecular FormulaC6H7F6NO3
Molecular Weight255.11 g/mol
Exact Mass255.03
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate
SMILESCON(C)C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO3/c1-13(15-2)4(14)16-3(5(7,8)9)6(10,11)12/h3H,1-2H3
InChIKeyKVHSKKABTFYDDH-UHFFFAOYSA-N
XLogP2.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate (CID 150877520) is 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate is CON(C)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-methoxy-N-methylcarbamate?
The InChIKey is KVHSKKABTFYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO3/c1-13(15-2)4(14)16-3(5(7,8)9)6(10,11)12/h3H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate?
1,1,1,3,3,3-hexafluoropropan-2-yl N-methoxy-N-methylcarbamate has a molecular weight of 255.11 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 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-methoxy-N-methylcarbamate is sourced from PubChem (CID 150877520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).