(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane

C7H10F6 — CID 89245722

IUPAC(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
SMILESCCC(C)(F)[C@@](F)(CF)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-5(2,9)6(10,4-8)7(11,12)13/h3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyWPWRMLJDMDMWSB-GDVGLLTNSA-N
MW208.14 g/mol
LogP3.36
Rot. Bonds3

About (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane

(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane (PubChem CID 89245722) has the molecular formula C7H10F6 and a molecular weight of 208.14 g/mol. Its IUPAC name is (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane.

Molecular Properties

Compound Name(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
PubChem CID89245722
Molecular FormulaC7H10F6
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
SMILESCCC(C)(F)[C@@](F)(CF)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-5(2,9)6(10,4-8)7(11,12)13/h3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyWPWRMLJDMDMWSB-GDVGLLTNSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane 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 (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane?
The IUPAC name of (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane (CID 89245722) is (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane.
What is the SMILES notation for (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane?
The canonical SMILES for (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane is CCC(C)(F)[C@@](F)(CF)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane?
The InChIKey is WPWRMLJDMDMWSB-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H10F6/c1-3-5(2,9)6(10,4-8)7(11,12)13/h3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane?
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane has a molecular weight of 208.14 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane is sourced from PubChem (CID 89245722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).