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

C8H12F7O2P — CID 6421628

IUPAC1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7O2P/c1-3-5-17-18(16,4-2)8(14,15)6(9,10)7(11,12)13/h3-5H2,1-2H3
InChIKeyVAUDXYRDAILLGE-UHFFFAOYSA-N
MW304.14 g/mol
LogP4.50
Rot. Bonds6

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

1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 6421628) has the molecular formula C8H12F7O2P and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID6421628
Molecular FormulaC8H12F7O2P
Molecular Weight304.14 g/mol
Exact Mass304.05
IUPAC Name1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7O2P/c1-3-5-17-18(16,4-2)8(14,15)6(9,10)7(11,12)13/h3-5H2,1-2H3
InChIKeyVAUDXYRDAILLGE-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 54.50
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

(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)phosphonic acid diethyl ester
CID 11070933
Diethyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylphosphonate
CID 12175336
Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
Diethyl (2,2-difluoroethyl)phosphonate
CID 21731055
Triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-lambda~5~-phosphane
CID 12732919
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
Diethyl [2-(2,2,3,3-tetrafluoropropoxy)ethyl]phosphonate
CID 88949671
2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane
CID 389111
Dipropoxyphosphoryl-bis(trifluoromethyl)phosphane
CID 13179222
Di(propan-2-yloxy)phosphoryl-bis(trifluoromethyl)phosphane
CID 13179223
Dibutoxyphosphoryl-bis(trifluoromethyl)phosphane
CID 13179224
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane (CID 6421628) is 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane is CCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is VAUDXYRDAILLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F7O2P/c1-3-5-17-18(16,4-2)8(14,15)6(9,10)7(11,12)13/h3-5H2,1-2H3.
What are the key properties of 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 304.14 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propoxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 6421628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).