2,4-dimethyl-3-(trifluoromethyl)pentane

C8H15F3 — CID 19768880

IUPAC2,4-dimethyl-3-(trifluoromethyl)pentane
SMILESCC(C)C(C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-5(2)7(6(3)4)8(9,10)11/h5-7H,1-4H3
InChIKeyDYXGHFYBFCKZFY-UHFFFAOYSA-N
MW168.20 g/mol
LogP3.48
Rot. Bonds2

About 2,4-dimethyl-3-(trifluoromethyl)pentane

2,4-dimethyl-3-(trifluoromethyl)pentane (PubChem CID 19768880) has the molecular formula C8H15F3 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,4-dimethyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2,4-dimethyl-3-(trifluoromethyl)pentane
PubChem CID19768880
Molecular FormulaC8H15F3
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name2,4-dimethyl-3-(trifluoromethyl)pentane
SMILESCC(C)C(C(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3/c1-5(2)7(6(3)4)8(9,10)11/h5-7H,1-4H3
InChIKeyDYXGHFYBFCKZFY-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(trifluoromethyl)pentane?
The IUPAC name of 2,4-dimethyl-3-(trifluoromethyl)pentane (CID 19768880) is 2,4-dimethyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for 2,4-dimethyl-3-(trifluoromethyl)pentane?
The canonical SMILES for 2,4-dimethyl-3-(trifluoromethyl)pentane is CC(C)C(C(C)C)C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-3-(trifluoromethyl)pentane?
The InChIKey is DYXGHFYBFCKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3/c1-5(2)7(6(3)4)8(9,10)11/h5-7H,1-4H3.
What are the key properties of 2,4-dimethyl-3-(trifluoromethyl)pentane?
2,4-dimethyl-3-(trifluoromethyl)pentane has a molecular weight of 168.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 19768880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).