1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane

C10H10F12O — CID 58901193

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane
SMILESCCCOCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-2-3-23-4-6(12,8(14,15)16)5(11)7(13,9(17,18)19)10(20,21)22/h5H,2-4H2,1H3
InChIKeyRJOIVZFGTXUYAK-UHFFFAOYSA-N
MW374.17 g/mol
LogP4.85
Rot. Bonds6

About 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane

1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane (PubChem CID 58901193) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane
PubChem CID58901193
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane
SMILESCCCOCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-2-3-23-4-6(12,8(14,15)16)5(11)7(13,9(17,18)19)10(20,21)22/h5H,2-4H2,1H3
InChIKeyRJOIVZFGTXUYAK-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane (CID 58901193) is 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane is CCCOCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane?
The InChIKey is RJOIVZFGTXUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-2-3-23-4-6(12,8(14,15)16)5(11)7(13,9(17,18)19)10(20,21)22/h5H,2-4H2,1H3.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane has a molecular weight of 374.17 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 58901193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).