2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene

C15H11F5O2 — CID 134617258

IUPAC2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1cccc(-c2ccc(OC(F)(F)F)cc2)c1C(F)F
InChIInChI=1S/C15H11F5O2/c1-21-12-4-2-3-11(13(12)14(16)17)9-5-7-10(8-6-9)22-15(18,19)20/h2-8,14H,1H3
InChIKeyVCCVUIUNPVVIQA-UHFFFAOYSA-N
MW318.24 g/mol
LogP5.20
Rot. Bonds4

About 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene

2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 134617258) has the molecular formula C15H11F5O2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID134617258
Molecular FormulaC15H11F5O2
Molecular Weight318.24 g/mol
Exact Mass318.07
IUPAC Name2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1cccc(-c2ccc(OC(F)(F)F)cc2)c1C(F)F
InChIInChI=1S/C15H11F5O2/c1-21-12-4-2-3-11(13(12)14(16)17)9-5-7-10(8-6-9)22-15(18,19)20/h2-8,14H,1H3
InChIKeyVCCVUIUNPVVIQA-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.24
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119020781
1-(difluoromethyl)-2-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622478
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methoxyphenol
CID 171251792
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
ethane;2-fluoro-1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 176686233
4-ethynyl-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 172879728
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene (CID 134617258) is 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene is COc1cccc(-c2ccc(OC(F)(F)F)cc2)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is VCCVUIUNPVVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O2/c1-21-12-4-2-3-11(13(12)14(16)17)9-5-7-10(8-6-9)22-15(18,19)20/h2-8,14H,1H3.
What are the key properties of 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 318.24 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134617258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).