2,2-dimethyl-3-(trifluoromethyl)hexane

C9H17F3 — CID 57088732

IUPAC2,2-dimethyl-3-(trifluoromethyl)hexane
SMILESCCCC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-5-6-7(8(2,3)4)9(10,11)12/h7H,5-6H2,1-4H3
InChIKeyRVYAYQMREJSWRL-UHFFFAOYSA-N
MW182.23 g/mol
LogP4.01
Rot. Bonds2

About 2,2-dimethyl-3-(trifluoromethyl)hexane

2,2-dimethyl-3-(trifluoromethyl)hexane (PubChem CID 57088732) has the molecular formula C9H17F3 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2,2-dimethyl-3-(trifluoromethyl)hexane
PubChem CID57088732
Molecular FormulaC9H17F3
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name2,2-dimethyl-3-(trifluoromethyl)hexane
SMILESCCCC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-5-6-7(8(2,3)4)9(10,11)12/h7H,5-6H2,1-4H3
InChIKeyRVYAYQMREJSWRL-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(trifluoromethyl)hexane?
The IUPAC name of 2,2-dimethyl-3-(trifluoromethyl)hexane (CID 57088732) is 2,2-dimethyl-3-(trifluoromethyl)hexane.
What is the SMILES notation for 2,2-dimethyl-3-(trifluoromethyl)hexane?
The canonical SMILES for 2,2-dimethyl-3-(trifluoromethyl)hexane is CCCC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(trifluoromethyl)hexane?
The InChIKey is RVYAYQMREJSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3/c1-5-6-7(8(2,3)4)9(10,11)12/h7H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(trifluoromethyl)hexane?
2,2-dimethyl-3-(trifluoromethyl)hexane has a molecular weight of 182.23 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(trifluoromethyl)hexane is sourced from PubChem (CID 57088732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).