methyl N-(1,1-difluorohex-5-en-2-yl)carbamate

C8H13F2NO2 — CID 71420693

IUPACmethyl N-(1,1-difluorohex-5-en-2-yl)carbamate
SMILESC=CCCC(NC(=O)OC)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-3-4-5-6(7(9)10)11-8(12)13-2/h3,6-7H,1,4-5H2,2H3,(H,11,12)
InChIKeyHEGYVTJXEDINOF-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.94
Rot. Bonds5

About methyl N-(1,1-difluorohex-5-en-2-yl)carbamate

methyl N-(1,1-difluorohex-5-en-2-yl)carbamate (PubChem CID 71420693) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is methyl N-(1,1-difluorohex-5-en-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,1-difluorohex-5-en-2-yl)carbamate
PubChem CID71420693
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namemethyl N-(1,1-difluorohex-5-en-2-yl)carbamate
SMILESC=CCCC(NC(=O)OC)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-3-4-5-6(7(9)10)11-8(12)13-2/h3,6-7H,1,4-5H2,2H3,(H,11,12)
InChIKeyHEGYVTJXEDINOF-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1,1-difluorohex-5-en-2-yl)carbamate?
The IUPAC name of methyl N-(1,1-difluorohex-5-en-2-yl)carbamate (CID 71420693) is methyl N-(1,1-difluorohex-5-en-2-yl)carbamate.
What is the SMILES notation for methyl N-(1,1-difluorohex-5-en-2-yl)carbamate?
The canonical SMILES for methyl N-(1,1-difluorohex-5-en-2-yl)carbamate is C=CCCC(NC(=O)OC)C(F)F.
What is the InChIKey of methyl N-(1,1-difluorohex-5-en-2-yl)carbamate?
The InChIKey is HEGYVTJXEDINOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-3-4-5-6(7(9)10)11-8(12)13-2/h3,6-7H,1,4-5H2,2H3,(H,11,12).
What are the key properties of methyl N-(1,1-difluorohex-5-en-2-yl)carbamate?
methyl N-(1,1-difluorohex-5-en-2-yl)carbamate has a molecular weight of 193.19 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,1-difluorohex-5-en-2-yl)carbamate is sourced from PubChem (CID 71420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).