1-fluoro-2-(trifluoromethyl)benzene

C7H4F4 — CID 9807

IUPAC1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccccc1C(F)(F)F
InChIInChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKeyBGVGHYOIWIALFF-UHFFFAOYSA-N
MW164.10 g/mol
LogP2.84
Rot. Bonds

About 1-fluoro-2-(trifluoromethyl)benzene

1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 9807) has the molecular formula C7H4F4 and a molecular weight of 164.10 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethyl)benzene
PubChem CID9807
Molecular FormulaC7H4F4
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Name1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccccc1C(F)(F)F
InChIInChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKeyBGVGHYOIWIALFF-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-(trifluoromethyl)benzene (CID 9807) is 1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-(trifluoromethyl)benzene is Fc1ccccc1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is BGVGHYOIWIALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H.
What are the key properties of 1-fluoro-2-(trifluoromethyl)benzene?
1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 164.10 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 9807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).