2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane

C10H13F7O2 — CID 59010323

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1
InChIInChI=1S/C10H13F7O2/c1-6-4-3-5-7(18-2,19-6)8(11,9(12,13)14)10(15,16)17/h6H,3-5H2,1-2H3
InChIKeyKUCCQFYNMVZSMW-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.75
Rot. Bonds2

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane (PubChem CID 59010323) has the molecular formula C10H13F7O2 and a molecular weight of 298.20 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane
PubChem CID59010323
Molecular FormulaC10H13F7O2
Molecular Weight298.20 g/mol
Exact Mass298.08
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane
SMILESCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1
InChIInChI=1S/C10H13F7O2/c1-6-4-3-5-7(18-2,19-6)8(11,9(12,13)14)10(15,16)17/h6H,3-5H2,1-2H3
InChIKeyKUCCQFYNMVZSMW-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane (CID 59010323) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane is COC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane?
The InChIKey is KUCCQFYNMVZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O2/c1-6-4-3-5-7(18-2,19-6)8(11,9(12,13)14)10(15,16)17/h6H,3-5H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane has a molecular weight of 298.20 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxy-6-methyloxane is sourced from PubChem (CID 59010323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).