1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane

C10H21F — CID 121449647

IUPAC1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane
SMILES[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C(C)(F)C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C10H21F/c1-8(2,3)10(7,11)9(4,5)6/h1-7H3/i1D3,2D3,4D3,5D3
InChIKeyWOEWTSMJAOITGS-NYOJSUJRSA-N
MW172.35 g/mol
LogP3.81
Rot. Bonds

About 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane

1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane (PubChem CID 121449647) has the molecular formula C10H21F and a molecular weight of 172.35 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane.

Molecular Properties

Compound Name1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane
PubChem CID121449647
Molecular FormulaC10H21F
Molecular Weight172.35 g/mol
Exact Mass172.24
IUPAC Name1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane
SMILES[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C(C)(F)C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C10H21F/c1-8(2,3)10(7,11)9(4,5)6/h1-7H3/i1D3,2D3,4D3,5D3
InChIKeyWOEWTSMJAOITGS-NYOJSUJRSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
1,1,1-trideuterio-4,4-difluoro-2,2-bis(trideuteriomethyl)pentane
CID 122425054
2,2,3,3,4,4-hexafluoropentane
CID 18188371
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
CID 22568684
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1,1,1-trifluoroethane trichloride
CID 159910186
2,2-difluoropropane;ethane
CID 144524394
1,1,1,3,3-pentadeuterio-2-methyl-2-(trifluoromethyl)butane
CID 130352609
[(2S)-1,1,1-trideuterio-2-fluoropropan-2-yl]benzene
CID 121449652

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane?
The IUPAC name of 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane (CID 121449647) is 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane.
What is the SMILES notation for 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane?
The canonical SMILES for 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane is [2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])C(C)(F)C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane?
The InChIKey is WOEWTSMJAOITGS-NYOJSUJRSA-N. The full InChI is InChI=1S/C10H21F/c1-8(2,3)10(7,11)9(4,5)6/h1-7H3/i1D3,2D3,4D3,5D3.
What are the key properties of 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane?
1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane has a molecular weight of 172.35 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexadeuterio-3-fluoro-2,3,4-trimethyl-2,4-bis(trideuteriomethyl)pentane is sourced from PubChem (CID 121449647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).