1,1,1-trifluoro-2,2-dimethylpropane

C5H9F3 — CID 12025748

IUPAC1,1,1-trifluoro-2,2-dimethylpropane
SMILESCC(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3/c1-4(2,3)5(6,7)8/h1-3H3
InChIKeyWQNXYRAMEVXDPW-UHFFFAOYSA-N
MW126.12 g/mol
LogP2.59
Rot. Bonds

About 1,1,1-trifluoro-2,2-dimethylpropane

1,1,1-trifluoro-2,2-dimethylpropane (PubChem CID 12025748) has the molecular formula C5H9F3 and a molecular weight of 126.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-dimethylpropane
PubChem CID12025748
Molecular FormulaC5H9F3
Molecular Weight126.12 g/mol
Exact Mass126.07
IUPAC Name1,1,1-trifluoro-2,2-dimethylpropane
SMILESCC(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3/c1-4(2,3)5(6,7)8/h1-3H3
InChIKeyWQNXYRAMEVXDPW-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-Fluoro-2,2-dimethylpropane
CID 10154002
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1,1,1,3,3,3-Hexafluoro-2,2-dimethylpropane
CID 15733905
1,1,2-Trifluoro-2-methylpropane
CID 19708468
CID 146166522
CID 146166522
1,2,2-Trifluoro-3,3-dimethylbutane
CID 12634319
2,2-Difluoro-3,3-dimethylbutane
CID 14917271
1,1,2-Trifluoro-3,3-dimethyl-butane
CID 21731060

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2-dimethylpropane?
The IUPAC name of 1,1,1-trifluoro-2,2-dimethylpropane (CID 12025748) is 1,1,1-trifluoro-2,2-dimethylpropane.
What is the SMILES notation for 1,1,1-trifluoro-2,2-dimethylpropane?
The canonical SMILES for 1,1,1-trifluoro-2,2-dimethylpropane is CC(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-dimethylpropane?
The InChIKey is WQNXYRAMEVXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3/c1-4(2,3)5(6,7)8/h1-3H3.
What are the key properties of 1,1,1-trifluoro-2,2-dimethylpropane?
1,1,1-trifluoro-2,2-dimethylpropane has a molecular weight of 126.12 g/mol, XLogP of 2.59, 0 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-dimethylpropane is sourced from PubChem (CID 12025748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).