1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene

C17H12F8O — CID 162594945

IUPAC1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene
SMILESCCCc1cc(F)c(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C17H12F8O/c1-2-3-9-4-14(19)15(8-13(9)18)26-12-6-10(16(20,21)22)5-11(7-12)17(23,24)25/h4-8H,2-3H2,1H3
InChIKeyMAYTXEKLEXXYJX-UHFFFAOYSA-N
MW384.27 g/mol
LogP6.75
Rot. Bonds4

About 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene

1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene (PubChem CID 162594945) has the molecular formula C17H12F8O and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene
PubChem CID162594945
Molecular FormulaC17H12F8O
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC Name1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene
SMILESCCCc1cc(F)c(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C17H12F8O/c1-2-3-9-4-14(19)15(8-13(9)18)26-12-6-10(16(20,21)22)5-11(7-12)17(23,24)25/h4-8H,2-3H2,1H3
InChIKeyMAYTXEKLEXXYJX-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene (CID 162594945) is 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene is CCCc1cc(F)c(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene?
The InChIKey is MAYTXEKLEXXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F8O/c1-2-3-9-4-14(19)15(8-13(9)18)26-12-6-10(16(20,21)22)5-11(7-12)17(23,24)25/h4-8H,2-3H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene?
1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene has a molecular weight of 384.27 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenoxy]-2,5-difluoro-4-propylbenzene is sourced from PubChem (CID 162594945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).