1,1,1-trifluoro-2,2,4,4-tetramethylpentane

C9H17F3 — CID 23556495

IUPAC1,1,1-trifluoro-2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-7(2,3)6-8(4,5)9(10,11)12/h6H2,1-5H3
InChIKeyNIGVDEMNXLRNRG-UHFFFAOYSA-N
MW182.23 g/mol
LogP4.01
Rot. Bonds1

About 1,1,1-trifluoro-2,2,4,4-tetramethylpentane

1,1,1-trifluoro-2,2,4,4-tetramethylpentane (PubChem CID 23556495) has the molecular formula C9H17F3 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2,4,4-tetramethylpentane
PubChem CID23556495
Molecular FormulaC9H17F3
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name1,1,1-trifluoro-2,2,4,4-tetramethylpentane
SMILESCC(C)(C)CC(C)(C)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-7(2,3)6-8(4,5)9(10,11)12/h6H2,1-5H3
InChIKeyNIGVDEMNXLRNRG-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2,4,4-tetramethylpentane?
The IUPAC name of 1,1,1-trifluoro-2,2,4,4-tetramethylpentane (CID 23556495) is 1,1,1-trifluoro-2,2,4,4-tetramethylpentane.
What is the SMILES notation for 1,1,1-trifluoro-2,2,4,4-tetramethylpentane?
The canonical SMILES for 1,1,1-trifluoro-2,2,4,4-tetramethylpentane is CC(C)(C)CC(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2,4,4-tetramethylpentane?
The InChIKey is NIGVDEMNXLRNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3/c1-7(2,3)6-8(4,5)9(10,11)12/h6H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-2,2,4,4-tetramethylpentane?
1,1,1-trifluoro-2,2,4,4-tetramethylpentane has a molecular weight of 182.23 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2,4,4-tetramethylpentane is sourced from PubChem (CID 23556495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).