1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane

C9H14F7O2P — CID 6420211

IUPAC1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane
SMILESCCCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F7O2P/c1-3-5-6-18-19(17,4-2)9(15,16)7(10,11)8(12,13)14/h3-6H2,1-2H3
InChIKeyLFQYYMHHZKYWJS-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.89
Rot. Bonds7

About 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane

1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane (PubChem CID 6420211) has the molecular formula C9H14F7O2P and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane
PubChem CID6420211
Molecular FormulaC9H14F7O2P
Molecular Weight318.17 g/mol
Exact Mass318.06
IUPAC Name1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane
SMILESCCCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F7O2P/c1-3-5-6-18-19(17,4-2)9(15,16)7(10,11)8(12,13)14/h3-6H2,1-2H3
InChIKeyLFQYYMHHZKYWJS-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphonate
CID 85888424
1-[Butoxy(trifluoromethyl)phosphoryl]oxybutane
CID 15750796
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
Dipropoxyphosphoryl-bis(trifluoromethyl)phosphane
CID 13179222
Dibutoxyphosphoryl-bis(trifluoromethyl)phosphane
CID 13179224
o-Ethyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6421638
o-Butyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6424812
3,3,3-Trifluoropropyl di-(3,3,3-trifluoropropyl)phosphinate
CID 129808977
2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane
CID 389111
3-Diethoxyphosphoryl-1,1,1,2,2-pentafluoropropane
CID 172877543
o-Propyl ethyl(2,2,2-trifluoroethyl)phosphinate
CID 6420432
o-Isobutyl ethyl(heptafluoropropyl)phosphinate
CID 6420673

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane?
The IUPAC name of 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane (CID 6420211) is 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane.
What is the SMILES notation for 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane?
The canonical SMILES for 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane is CCCCOP(=O)(CC)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane?
The InChIKey is LFQYYMHHZKYWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F7O2P/c1-3-5-6-18-19(17,4-2)9(15,16)7(10,11)8(12,13)14/h3-6H2,1-2H3.
What are the key properties of 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane?
1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane has a molecular weight of 318.17 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphoryl]oxybutane is sourced from PubChem (CID 6420211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).