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

C9H4F8O — CID 2099931

IUPAC1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H4F8O/c10-7(11)18-6-2-4(8(12,13)14)1-5(3-6)9(15,16)17/h1-3,7H
InChIKeyMHKACPMSUQVVBH-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.33
Rot. Bonds2

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

1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene (PubChem CID 2099931) has the molecular formula C9H4F8O and a molecular weight of 280.11 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene
PubChem CID2099931
Molecular FormulaC9H4F8O
Molecular Weight280.11 g/mol
Exact Mass280.01
IUPAC Name1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H4F8O/c10-7(11)18-6-2-4(8(12,13)14)1-5(3-6)9(15,16)17/h1-3,7H
InChIKeyMHKACPMSUQVVBH-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene (CID 2099931) is 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene is FC(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is MHKACPMSUQVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F8O/c10-7(11)18-6-2-4(8(12,13)14)1-5(3-6)9(15,16)17/h1-3,7H.
What are the key properties of 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene?
1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 280.11 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 2099931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).