butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate

C8H9F6NO2 — CID 14528357

IUPACbutyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
SMILESCCCCOC(=O)N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-2-3-4-17-6(16)15-5(7(9,10)11)8(12,13)14/h2-4H2,1H3
InChIKeyPSCKDRMWJICVIR-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.49
Rot. Bonds3

About butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate

butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate (PubChem CID 14528357) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate.

Molecular Properties

Compound Namebutyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
PubChem CID14528357
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC Namebutyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate
SMILESCCCCOC(=O)N=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F6NO2/c1-2-3-4-17-6(16)15-5(7(9,10)11)8(12,13)14/h2-4H2,1H3
InChIKeyPSCKDRMWJICVIR-UHFFFAOYSA-N
XLogP3.49
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The IUPAC name of butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate (CID 14528357) is butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate.
What is the SMILES notation for butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The canonical SMILES for butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is CCCCOC(=O)N=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
The InChIKey is PSCKDRMWJICVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO2/c1-2-3-4-17-6(16)15-5(7(9,10)11)8(12,13)14/h2-4H2,1H3.
What are the key properties of butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate?
butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate has a molecular weight of 265.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)carbamate is sourced from PubChem (CID 14528357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).