1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene

C10H11F3 — CID 58227067

IUPAC1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
SMILES[2H]C([2H])(C)C([2H])([2H])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h3,5-7H,2,4H2,1H3/i2D2,4D2
InChIKeyDVWOVSRLFSASKK-BYUTVXSXSA-N
MW192.22 g/mol
LogP3.66
Rot. Bonds2

About 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene

1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene (PubChem CID 58227067) has the molecular formula C10H11F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
PubChem CID58227067
Molecular FormulaC10H11F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
SMILES[2H]C([2H])(C)C([2H])([2H])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h3,5-7H,2,4H2,1H3/i2D2,4D2
InChIKeyDVWOVSRLFSASKK-BYUTVXSXSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 58227076
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 40609421
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pentan-3-ol
CID 65146705
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
1-(2,2-difluoro-3-methoxypentyl)-3-(trifluoromethyl)benzene
CID 54277756

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene (CID 58227067) is 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene is [2H]C([2H])(C)C([2H])([2H])c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene?
The InChIKey is DVWOVSRLFSASKK-BYUTVXSXSA-N. The full InChI is InChI=1S/C10H11F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h3,5-7H,2,4H2,1H3/i2D2,4D2.
What are the key properties of 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene?
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene has a molecular weight of 192.22 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 58227067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).