3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane

C11H20F4 — CID 121371775

IUPAC3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane
SMILESCCC(C)(C)CC(F)(C(C)C)C(F)(F)F
InChIInChI=1S/C11H20F4/c1-6-9(4,5)7-10(12,8(2)3)11(13,14)15/h8H,6-7H2,1-5H3
InChIKeyLKQNJHDXRLSWHX-UHFFFAOYSA-N
MW228.27 g/mol
LogP4.74
Rot. Bonds4

About 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane

3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane (PubChem CID 121371775) has the molecular formula C11H20F4 and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane.

Molecular Properties

Compound Name3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane
PubChem CID121371775
Molecular FormulaC11H20F4
Molecular Weight228.27 g/mol
Exact Mass228.15
IUPAC Name3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane
SMILESCCC(C)(C)CC(F)(C(C)C)C(F)(F)F
InChIInChI=1S/C11H20F4/c1-6-9(4,5)7-10(12,8(2)3)11(13,14)15/h8H,6-7H2,1-5H3
InChIKeyLKQNJHDXRLSWHX-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane?
The IUPAC name of 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane (CID 121371775) is 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane.
What is the SMILES notation for 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane?
The canonical SMILES for 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane is CCC(C)(C)CC(F)(C(C)C)C(F)(F)F.
What is the InChIKey of 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane?
The InChIKey is LKQNJHDXRLSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4/c1-6-9(4,5)7-10(12,8(2)3)11(13,14)15/h8H,6-7H2,1-5H3.
What are the key properties of 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane?
3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane has a molecular weight of 228.27 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane is sourced from PubChem (CID 121371775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).