1-(trifluoromethoxy)-4-(trifluoromethyl)benzene

C8H4F6O — CID 2777238

IUPAC1-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F6O/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H
InChIKeyPNJSCLOFYSBUMK-UHFFFAOYSA-N
MW230.11 g/mol
LogP3.60
Rot. Bonds1

About 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene

1-(trifluoromethoxy)-4-(trifluoromethyl)benzene (PubChem CID 2777238) has the molecular formula C8H4F6O and a molecular weight of 230.11 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-4-(trifluoromethyl)benzene
PubChem CID2777238
Molecular FormulaC8H4F6O
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name1-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H4F6O/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H
InChIKeyPNJSCLOFYSBUMK-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 637563
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CID 8815
CID 8815
CID 2194
CID 2194
CID 7731
CID 7731
CID 7530
CID 7530
CID 1549040
CID 1549040
CID 7702
CID 7702
CID 33637
CID 33637
CID 81221
CID 81221
CID 12507
CID 12507
CID 6422476
CID 6422476
CID 73690
CID 73690

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene (CID 2777238) is 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene is FC(F)(F)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The InChIKey is PNJSCLOFYSBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H.
What are the key properties of 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
1-(trifluoromethoxy)-4-(trifluoromethyl)benzene has a molecular weight of 230.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 2777238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).