2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid

C8H14FNO4 — CID 135346264

IUPAC2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid
SMILESC=C(F)CN(CC(OC)OC)C(=O)O
InChIInChI=1S/C8H14FNO4/c1-6(9)4-10(8(11)12)5-7(13-2)14-3/h7H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyJOQMKLLTFLKUCQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.07
Rot. Bonds6

About 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid

2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid (PubChem CID 135346264) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid.

Molecular Properties

Compound Name2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid
PubChem CID135346264
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid
SMILESC=C(F)CN(CC(OC)OC)C(=O)O
InChIInChI=1S/C8H14FNO4/c1-6(9)4-10(8(11)12)5-7(13-2)14-3/h7H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyJOQMKLLTFLKUCQ-UHFFFAOYSA-N
XLogP1.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid?
The IUPAC name of 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid (CID 135346264) is 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid.
What is the SMILES notation for 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid?
The canonical SMILES for 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid is C=C(F)CN(CC(OC)OC)C(=O)O.
What is the InChIKey of 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid?
The InChIKey is JOQMKLLTFLKUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4/c1-6(9)4-10(8(11)12)5-7(13-2)14-3/h7H,1,4-5H2,2-3H3,(H,11,12).
What are the key properties of 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid?
2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid has a molecular weight of 207.20 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl(2-fluoroprop-2-enyl)carbamic acid is sourced from PubChem (CID 135346264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).