(3R)-2-methyl-3-(trifluoromethyl)hexane

C8H15F3 — CID 122598619

IUPAC(3R)-2-methyl-3-(trifluoromethyl)hexane
SMILESCCC[C@H](C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-4-5-7(6(2)3)8(9,10)11/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyWZHZYFRKYWOKND-SSDOTTSWSA-N
MW168.20 g/mol
LogP3.62
Rot. Bonds3

About (3R)-2-methyl-3-(trifluoromethyl)hexane

(3R)-2-methyl-3-(trifluoromethyl)hexane (PubChem CID 122598619) has the molecular formula C8H15F3 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3R)-2-methyl-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name(3R)-2-methyl-3-(trifluoromethyl)hexane
PubChem CID122598619
Molecular FormulaC8H15F3
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name(3R)-2-methyl-3-(trifluoromethyl)hexane
SMILESCCC[C@H](C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-4-5-7(6(2)3)8(9,10)11/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyWZHZYFRKYWOKND-SSDOTTSWSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3-(trifluoromethyl)hexane?
The IUPAC name of (3R)-2-methyl-3-(trifluoromethyl)hexane (CID 122598619) is (3R)-2-methyl-3-(trifluoromethyl)hexane.
What is the SMILES notation for (3R)-2-methyl-3-(trifluoromethyl)hexane?
The canonical SMILES for (3R)-2-methyl-3-(trifluoromethyl)hexane is CCC[C@H](C(C)C)C(F)(F)F.
What is the InChIKey of (3R)-2-methyl-3-(trifluoromethyl)hexane?
The InChIKey is WZHZYFRKYWOKND-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F3/c1-4-5-7(6(2)3)8(9,10)11/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-2-methyl-3-(trifluoromethyl)hexane?
(3R)-2-methyl-3-(trifluoromethyl)hexane has a molecular weight of 168.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3-(trifluoromethyl)hexane is sourced from PubChem (CID 122598619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).