UGOGQWZIQGKXIC-UHFFFAOYSA-N

C9H13F6O5P — CID 87358741

IUPACbutyl bis(2,2,2-trifluoroethoxy)phosphorylformate
SMILESCCCCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H13F6O5P/c1-2-3-4-18-7(16)21(17,19-5-8(10,11)12)20-6-9(13,14)15/h2-6H2,1H3
InChIKeyUGOGQWZIQGKXIC-UHFFFAOYSA-N
MW346.16 g/mol
LogP4.27
Rot. Bonds8

About UGOGQWZIQGKXIC-UHFFFAOYSA-N

UGOGQWZIQGKXIC-UHFFFAOYSA-N (PubChem CID 87358741) has the molecular formula C9H13F6O5P and a molecular weight of 346.16 g/mol. Its IUPAC name is butyl bis(2,2,2-trifluoroethoxy)phosphorylformate.

Molecular Properties

Compound NameUGOGQWZIQGKXIC-UHFFFAOYSA-N
PubChem CID87358741
Molecular FormulaC9H13F6O5P
Molecular Weight346.16 g/mol
Exact Mass346.04
IUPAC Namebutyl bis(2,2,2-trifluoroethoxy)phosphorylformate
SMILESCCCCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H13F6O5P/c1-2-3-4-18-7(16)21(17,19-5-8(10,11)12)20-6-9(13,14)15/h2-6H2,1H3
InChIKeyUGOGQWZIQGKXIC-UHFFFAOYSA-N
XLogP4.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of UGOGQWZIQGKXIC-UHFFFAOYSA-N?
The IUPAC name of UGOGQWZIQGKXIC-UHFFFAOYSA-N (CID 87358741) is butyl bis(2,2,2-trifluoroethoxy)phosphorylformate.
What is the SMILES notation for UGOGQWZIQGKXIC-UHFFFAOYSA-N?
The canonical SMILES for UGOGQWZIQGKXIC-UHFFFAOYSA-N is CCCCOC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of UGOGQWZIQGKXIC-UHFFFAOYSA-N?
The InChIKey is UGOGQWZIQGKXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6O5P/c1-2-3-4-18-7(16)21(17,19-5-8(10,11)12)20-6-9(13,14)15/h2-6H2,1H3.
What are the key properties of UGOGQWZIQGKXIC-UHFFFAOYSA-N?
UGOGQWZIQGKXIC-UHFFFAOYSA-N has a molecular weight of 346.16 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for UGOGQWZIQGKXIC-UHFFFAOYSA-N is sourced from PubChem (CID 87358741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).