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

C8H12F7O2P — CID 6421636

IUPAC1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCP(=O)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7O2P/c1-4-18(16,17-5(2)3)8(14,15)6(9,10)7(11,12)13/h5H,4H2,1-3H3
InChIKeyGTTDJANBCSYMFZ-UHFFFAOYSA-N
MW304.14 g/mol
LogP4.50
Rot. Bonds5

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

1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 6421636) has the molecular formula C8H12F7O2P and a molecular weight of 304.14 g/mol. Its IUPAC name is 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID6421636
Molecular FormulaC8H12F7O2P
Molecular Weight304.14 g/mol
Exact Mass304.05
IUPAC Name1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane
SMILESCCP(=O)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F7O2P/c1-4-18(16,17-5(2)3)8(14,15)6(9,10)7(11,12)13/h5H,4H2,1-3H3
InChIKeyGTTDJANBCSYMFZ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
CID 134922874
(1-cyano-2,2,3,3,4,4,4-heptafluorobutyl) dipropan-2-yl phosphate
CID 23263620
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
1-[ethyl(methyl)phosphoryl]-1,1,2,2,2-pentafluoroethane
CID 87128019
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
CID 574770
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl) hydrogen phosphate
CID 121302504
ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
CID 610019
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
2-dimethylphosphoryloxypropane
CID 12572720

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane (CID 6421636) is 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane is CCP(=O)(OC(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is GTTDJANBCSYMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F7O2P/c1-4-18(16,17-5(2)3)8(14,15)6(9,10)7(11,12)13/h5H,4H2,1-3H3.
What are the key properties of 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane?
1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 304.14 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propan-2-yloxy)phosphoryl]-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 6421636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).