1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane

C9H15F7 — CID 91226340

IUPAC1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane
SMILESCC(F)(F)CF.CCC(C)(CF)C(F)(F)F
InChIInChI=1S/C6H10F4.C3H5F3/c1-3-5(2,4-7)6(8,9)10;1-3(5,6)2-4/h3-4H2,1-2H3;2H2,1H3
InChIKeyUPCGMPSXXHIWND-UHFFFAOYSA-N
MW256.20 g/mol
LogP4.55
Rot. Bonds3

About 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane

1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane (PubChem CID 91226340) has the molecular formula C9H15F7 and a molecular weight of 256.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane
PubChem CID91226340
Molecular FormulaC9H15F7
Molecular Weight256.20 g/mol
Exact Mass256.11
IUPAC Name1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane
SMILESCC(F)(F)CF.CCC(C)(CF)C(F)(F)F
InChIInChI=1S/C6H10F4.C3H5F3/c1-3-5(2,4-7)6(8,9)10;1-3(5,6)2-4/h3-4H2,1-2H3;2H2,1H3
InChIKeyUPCGMPSXXHIWND-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane 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 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane?
The IUPAC name of 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane (CID 91226340) is 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane.
What is the SMILES notation for 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane?
The canonical SMILES for 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane is CC(F)(F)CF.CCC(C)(CF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane?
The InChIKey is UPCGMPSXXHIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4.C3H5F3/c1-3-5(2,4-7)6(8,9)10;1-3(5,6)2-4/h3-4H2,1-2H3;2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane?
1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane has a molecular weight of 256.20 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(fluoromethyl)-2-methylbutane;1,2,2-trifluoropropane is sourced from PubChem (CID 91226340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).