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

C14H10ClF3O2 — CID 119020781

IUPAC2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C14H10ClF3O2/c1-19-12-4-2-3-11(13(12)15)9-5-7-10(8-6-9)20-14(16,17)18/h2-8H,1H3
InChIKeyFMPOIUKODPBXJG-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.91
Rot. Bonds3

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

2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 119020781) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID119020781
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C14H10ClF3O2/c1-19-12-4-2-3-11(13(12)15)9-5-7-10(8-6-9)20-14(16,17)18/h2-8H,1H3
InChIKeyFMPOIUKODPBXJG-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134617258
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
2-chloro-1-nitro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119011135
1-(difluoromethyl)-2-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622478
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
[2-chloro-6-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631491
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
4-ethynyl-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 172879728
1-(chloromethyl)-2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134626487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene (CID 119020781) is 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene is COc1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl.
What is the InChIKey of 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is FMPOIUKODPBXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-19-12-4-2-3-11(13(12)15)9-5-7-10(8-6-9)20-14(16,17)18/h2-8H,1H3.
What are the key properties of 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene?
2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 302.68 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 119020781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).