1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane

C7H14F3O2P — CID 6420432

IUPAC1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(CC)CC(F)(F)F
InChIInChI=1S/C7H14F3O2P/c1-3-5-12-13(11,4-2)6-7(8,9)10/h3-6H2,1-2H3
InChIKeyJWNIUKZVWZITHC-UHFFFAOYSA-N
MW218.15 g/mol
LogP3.27
Rot. Bonds5

About 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane

1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane (PubChem CID 6420432) has the molecular formula C7H14F3O2P and a molecular weight of 218.15 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane
PubChem CID6420432
Molecular FormulaC7H14F3O2P
Molecular Weight218.15 g/mol
Exact Mass218.07
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane
SMILESCCCOP(=O)(CC)CC(F)(F)F
InChIInChI=1S/C7H14F3O2P/c1-3-5-12-13(11,4-2)6-7(8,9)10/h3-6H2,1-2H3
InChIKeyJWNIUKZVWZITHC-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
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
Diethyl trifluorovinylphosphonate
CID 14115299
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
Agn-PC-0nco3N
CID 10910399
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
2-Diethoxyphosphoryl-1,1,1-trifluoro-2-methoxyethane
CID 135037093
Diisopropyl difluoromethylphosphonate
CID 2780747

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane (CID 6420432) is 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane is CCCOP(=O)(CC)CC(F)(F)F.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
The InChIKey is JWNIUKZVWZITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O2P/c1-3-5-12-13(11,4-2)6-7(8,9)10/h3-6H2,1-2H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane?
1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane has a molecular weight of 218.15 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)phosphoryl]oxypropane is sourced from PubChem (CID 6420432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).