1-[propoxy(trifluoromethyl)phosphoryl]oxypropane

C7H14F3O3P — CID 102450606

IUPAC1-[propoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)C(F)(F)F
InChIInChI=1S/C7H14F3O3P/c1-3-5-12-14(11,7(8,9)10)13-6-4-2/h3-6H2,1-2H3
InChIKeyHUUAYBSIIMRRME-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.55
Rot. Bonds6

About 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane

1-[propoxy(trifluoromethyl)phosphoryl]oxypropane (PubChem CID 102450606) has the molecular formula C7H14F3O3P and a molecular weight of 234.15 g/mol. Its IUPAC name is 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[propoxy(trifluoromethyl)phosphoryl]oxypropane
PubChem CID102450606
Molecular FormulaC7H14F3O3P
Molecular Weight234.15 g/mol
Exact Mass234.06
IUPAC Name1-[propoxy(trifluoromethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)C(F)(F)F
InChIInChI=1S/C7H14F3O3P/c1-3-5-12-14(11,7(8,9)10)13-6-4-2/h3-6H2,1-2H3
InChIKeyHUUAYBSIIMRRME-UHFFFAOYSA-N
XLogP3.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Bromodifluoromethyl diethylphosphonate
CID 144101
Phosphonic acid, (fluoromethyl)-, diethyl ester
CID 178918
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Propyl methylphosphonofluoridate
CID 522613
Iododifluoromethylphosphonic acid diethyl ester
CID 9972899
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Bis(2-methylpropyl) (trifluoromethyl)phosphonate
CID 13141507
Diethyl (3,3,3-trifluoroprop-1-yn-1-yl)phosphonate
CID 11009757
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Dimethyl (2,2-difluoroethyl)phosphonate
CID 71387577
Phosphonic acid, (1-fluoroethyl)-, diethyl ester
CID 10511689

Frequently Asked Questions

What is the IUPAC name of 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane?
The IUPAC name of 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane (CID 102450606) is 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane is CCCOP(=O)(OCCC)C(F)(F)F.
What is the InChIKey of 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane?
The InChIKey is HUUAYBSIIMRRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O3P/c1-3-5-12-14(11,7(8,9)10)13-6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane?
1-[propoxy(trifluoromethyl)phosphoryl]oxypropane has a molecular weight of 234.15 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propoxy(trifluoromethyl)phosphoryl]oxypropane is sourced from PubChem (CID 102450606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).