MVVLXEDYGWVNSP-UHFFFAOYSA-N

C6H7F6O5P — CID 87358880

IUPACmethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
SMILESCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O5P/c1-15-4(13)18(14,16-2-5(7,8)9)17-3-6(10,11)12/h2-3H2,1H3
InChIKeyMVVLXEDYGWVNSP-UHFFFAOYSA-N
MW304.08 g/mol
LogP3.10
Rot. Bonds5

About MVVLXEDYGWVNSP-UHFFFAOYSA-N

MVVLXEDYGWVNSP-UHFFFAOYSA-N (PubChem CID 87358880) has the molecular formula C6H7F6O5P and a molecular weight of 304.08 g/mol. Its IUPAC name is methyl bis(2,2,2-trifluoroethoxy)phosphorylformate.

Molecular Properties

Compound NameMVVLXEDYGWVNSP-UHFFFAOYSA-N
PubChem CID87358880
Molecular FormulaC6H7F6O5P
Molecular Weight304.08 g/mol
Exact Mass303.99
IUPAC Namemethyl bis(2,2,2-trifluoroethoxy)phosphorylformate
SMILESCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H7F6O5P/c1-15-4(13)18(14,16-2-5(7,8)9)17-3-6(10,11)12/h2-3H2,1H3
InChIKeyMVVLXEDYGWVNSP-UHFFFAOYSA-N
XLogP3.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of MVVLXEDYGWVNSP-UHFFFAOYSA-N?
The IUPAC name of MVVLXEDYGWVNSP-UHFFFAOYSA-N (CID 87358880) is methyl bis(2,2,2-trifluoroethoxy)phosphorylformate.
What is the SMILES notation for MVVLXEDYGWVNSP-UHFFFAOYSA-N?
The canonical SMILES for MVVLXEDYGWVNSP-UHFFFAOYSA-N is COC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of MVVLXEDYGWVNSP-UHFFFAOYSA-N?
The InChIKey is MVVLXEDYGWVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6O5P/c1-15-4(13)18(14,16-2-5(7,8)9)17-3-6(10,11)12/h2-3H2,1H3.
What are the key properties of MVVLXEDYGWVNSP-UHFFFAOYSA-N?
MVVLXEDYGWVNSP-UHFFFAOYSA-N has a molecular weight of 304.08 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for MVVLXEDYGWVNSP-UHFFFAOYSA-N is sourced from PubChem (CID 87358880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).