3-methyl-3-(trifluoromethyl)pentane

C7H13F3 — CID 20743938

IUPAC3-methyl-3-(trifluoromethyl)pentane
SMILESCCC(C)(CC)C(F)(F)F
InChIInChI=1S/C7H13F3/c1-4-6(3,5-2)7(8,9)10/h4-5H2,1-3H3
InChIKeyMGMHILKONGEISP-UHFFFAOYSA-N
MW154.17 g/mol
LogP3.38
Rot. Bonds2

About 3-methyl-3-(trifluoromethyl)pentane

3-methyl-3-(trifluoromethyl)pentane (PubChem CID 20743938) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)pentane
PubChem CID20743938
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name3-methyl-3-(trifluoromethyl)pentane
SMILESCCC(C)(CC)C(F)(F)F
InChIInChI=1S/C7H13F3/c1-4-6(3,5-2)7(8,9)10/h4-5H2,1-3H3
InChIKeyMGMHILKONGEISP-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyl-3-(trifluoromethyl)pentane 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 3-methyl-3-(trifluoromethyl)pentane?
The IUPAC name of 3-methyl-3-(trifluoromethyl)pentane (CID 20743938) is 3-methyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)pentane?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)pentane is CCC(C)(CC)C(F)(F)F.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)pentane?
The InChIKey is MGMHILKONGEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3/c1-4-6(3,5-2)7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 3-methyl-3-(trifluoromethyl)pentane?
3-methyl-3-(trifluoromethyl)pentane has a molecular weight of 154.17 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 20743938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).