1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane

C7H10F7O2P — CID 6421632

IUPAC1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7O2P/c1-3-16-17(15,4-2)7(13,14)5(8,9)6(10,11)12/h3-4H2,1-2H3
InChIKeyMRMWRBLWPOUPAT-UHFFFAOYSA-N
MW290.12 g/mol
LogP4.11
Rot. Bonds5

About 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane

1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 6421632) has the molecular formula C7H10F7O2P and a molecular weight of 290.12 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID6421632
Molecular FormulaC7H10F7O2P
Molecular Weight290.12 g/mol
Exact Mass290.03
IUPAC Name1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7O2P/c1-3-16-17(15,4-2)7(13,14)5(8,9)6(10,11)12/h3-4H2,1-2H3
InChIKeyMRMWRBLWPOUPAT-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471
Hexafluoroisopropylidenethoxydimethoxyphosphorane
CID 13115973
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
Dimethyl 2-(2,2,3,3-tetrafluoropropoxy)ethylphosphonate
CID 88949678
Dipropoxyphosphoryl-bis(trifluoromethyl)phosphane
CID 13179222
(Z)-1-diethoxyphosphoryl-2,3,3,3-tetrafluoroprop-1-ene
CID 13196903

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane (CID 6421632) is 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane is CCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is MRMWRBLWPOUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7O2P/c1-3-16-17(15,4-2)7(13,14)5(8,9)6(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 290.12 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 6421632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).