ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)

C18H18F8 — CID 145008249

IUPACethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
SMILESCC.FCc1ccccc1C(F)(F)F.FCc1ccccc1C(F)(F)F
InChIInChI=1S/2C8H6F4.C2H6/c2*9-5-6-3-1-2-4-7(6)8(10,11)12;1-2/h2*1-4H,5H2;1-2H3
InChIKeyFBHPGKWKUKCKDF-UHFFFAOYSA-N
MW386.33 g/mol
LogP7.38
Rot. Bonds2

About ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)

ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene) (PubChem CID 145008249) has the molecular formula C18H18F8 and a molecular weight of 386.33 g/mol. Its IUPAC name is ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene).

Molecular Properties

Compound Nameethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
PubChem CID145008249
Molecular FormulaC18H18F8
Molecular Weight386.33 g/mol
Exact Mass386.13
IUPAC Nameethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
SMILESCC.FCc1ccccc1C(F)(F)F.FCc1ccccc1C(F)(F)F
InChIInChI=1S/2C8H6F4.C2H6/c2*9-5-6-3-1-2-4-7(6)8(10,11)12;1-2/h2*1-4H,5H2;1-2H3
InChIKeyFBHPGKWKUKCKDF-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171
1-(2-bromo-3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 63530722
dipropyl-[[2-(trifluoromethyl)phenyl]methyl]alumane
CID 19904947

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)?
The IUPAC name of ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene) (CID 145008249) is ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene).
What is the SMILES notation for ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)?
The canonical SMILES for ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene) is CC.FCc1ccccc1C(F)(F)F.FCc1ccccc1C(F)(F)F.
What is the InChIKey of ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)?
The InChIKey is FBHPGKWKUKCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6F4.C2H6/c2*9-5-6-3-1-2-4-7(6)8(10,11)12;1-2/h2*1-4H,5H2;1-2H3.
What are the key properties of ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)?
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene) has a molecular weight of 386.33 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene) is sourced from PubChem (CID 145008249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).