2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene

C14H8F6O — CID 118814732

IUPAC2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(-c2ccccc2C(F)(F)F)c1OC(F)F
InChIInChI=1S/C14H8F6O/c15-11-7-3-5-9(12(11)21-13(16)17)8-4-1-2-6-10(8)14(18,19)20/h1-7,13H
InChIKeyBTCXSJRNHPOJSF-UHFFFAOYSA-N
MW306.21 g/mol
LogP5.11
Rot. Bonds3

About 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene

2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 118814732) has the molecular formula C14H8F6O and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
PubChem CID118814732
Molecular FormulaC14H8F6O
Molecular Weight306.21 g/mol
Exact Mass306.05
IUPAC Name2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(-c2ccccc2C(F)(F)F)c1OC(F)F
InChIInChI=1S/C14H8F6O/c15-11-7-3-5-9(12(11)21-13(16)17)8-4-1-2-6-10(8)14(18,19)20/h1-7,13H
InChIKeyBTCXSJRNHPOJSF-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene (CID 118814732) is 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene is Fc1cccc(-c2ccccc2C(F)(F)F)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is BTCXSJRNHPOJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6O/c15-11-7-3-5-9(12(11)21-13(16)17)8-4-1-2-6-10(8)14(18,19)20/h1-7,13H.
What are the key properties of 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene?
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 306.21 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118814732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).