1-(difluoromethoxy)-3-(trifluoromethyl)benzene

C8H5F5O — CID 13405100

IUPAC1-(difluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H5F5O/c9-7(10)14-6-3-1-2-5(4-6)8(11,12)13/h1-4,7H
InChIKeyMAIFXPGOZIQUGV-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.31
Rot. Bonds2

About 1-(difluoromethoxy)-3-(trifluoromethyl)benzene

1-(difluoromethoxy)-3-(trifluoromethyl)benzene (PubChem CID 13405100) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-(trifluoromethyl)benzene
PubChem CID13405100
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1-(difluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H5F5O/c9-7(10)14-6-3-1-2-5(4-6)8(11,12)13/h1-4,7H
InChIKeyMAIFXPGOZIQUGV-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethoxy)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119025174
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
4-(difluoromethoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 7943250
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
CID 134629997
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
2-chloro-2-[3-(difluoromethoxy)phenyl]-3-hydroxypropanoic acid
CID 150337614
2-[3-(trifluoromethyl)phenoxy]butanenitrile
CID 55207608
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-3-(trifluoromethyl)benzene (CID 13405100) is 1-(difluoromethoxy)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3-(trifluoromethyl)benzene is FC(F)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The InChIKey is MAIFXPGOZIQUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-7(10)14-6-3-1-2-5(4-6)8(11,12)13/h1-4,7H.
What are the key properties of 1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
1-(difluoromethoxy)-3-(trifluoromethyl)benzene has a molecular weight of 212.12 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 13405100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).