1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane

C6H11F3 — CID 130352609

IUPAC1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane
SMILES[2H]C([2H])([2H])C(C)(C([2H])([2H])C)C(F)(F)F
InChIInChI=1S/C6H11F3/c1-4-5(2,3)6(7,8)9/h4H2,1-3H3/i2D3,4D2
InChIKeyBYJFTKLVHKEEOX-PVGOWFQYSA-N
MW145.18 g/mol
LogP2.98
Rot. Bonds2

About 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane

1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane (PubChem CID 130352609) has the molecular formula C6H11F3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane
PubChem CID130352609
Molecular FormulaC6H11F3
Molecular Weight145.18 g/mol
Exact Mass145.11
IUPAC Name1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane
SMILES[2H]C([2H])([2H])C(C)(C([2H])([2H])C)C(F)(F)F
InChIInChI=1S/C6H11F3/c1-4-5(2,3)6(7,8)9/h4H2,1-3H3/i2D3,4D2
InChIKeyBYJFTKLVHKEEOX-PVGOWFQYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
CID 137409312
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
3,3,3-trifluoro-2-(trideuteriomethyl)propane-1,2-diol
CID 162760770
3-fluoro-3-(trifluoromethyl)pentane
CID 59742437
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
CID 54245833
1,1,1-trideuterio-4,4-difluoro-2,2-bis(trideuteriomethyl)pentane
CID 122425054
1,1,1,3,3,4,4,6,6,6-decadeuterio-2,5-dimethyl-2,5-bis(trideuteriomethyl)hexane
CID 176822398
1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane
CID 121449647
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
3-deuterio-2,2-dimethylbutane
CID 164727472

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane (CID 130352609) is 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane is [2H]C([2H])([2H])C(C)(C([2H])([2H])C)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane?
The InChIKey is BYJFTKLVHKEEOX-PVGOWFQYSA-N. The full InChI is InChI=1S/C6H11F3/c1-4-5(2,3)6(7,8)9/h4H2,1-3H3/i2D3,4D2.
What are the key properties of 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane?
1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane has a molecular weight of 145.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane is sourced from PubChem (CID 130352609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).