1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene

C9H3F9O — CID 18994644

IUPAC1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H3F9O/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)19-9(16,17)18/h1-3H
InChIKeyUGRLSMQCJKPTKP-UHFFFAOYSA-N
MW298.10 g/mol
LogP4.62
Rot. Bonds1

About 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene

1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene (PubChem CID 18994644) has the molecular formula C9H3F9O and a molecular weight of 298.10 g/mol. Its IUPAC name is 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
PubChem CID18994644
Molecular FormulaC9H3F9O
Molecular Weight298.10 g/mol
Exact Mass298.00
IUPAC Name1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H3F9O/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)19-9(16,17)18/h1-3H
InChIKeyUGRLSMQCJKPTKP-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
lithium;[3,5-bis(trifluoromethyl)phenoxy]boronic acid;hydride
CID 174626926
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
CID 166607829
CID 10890130
CID 10890130
3,5-bis(trifluoromethoxy)benzenethiol
CID 87333511
1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
CID 71669577
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
CID 162498721
N-methyl-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)aniline
CID 165351005
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene (CID 18994644) is 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene is FC(F)(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is UGRLSMQCJKPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F9O/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)19-9(16,17)18/h1-3H.
What are the key properties of 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 298.10 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 18994644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).