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

C15H10ClF5O — CID 155146174

IUPAC2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
SMILESFC(F)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H10ClF5O/c16-12-7-11(15(19,20)21)4-5-13(12)22-8-9-2-1-3-10(6-9)14(17)18/h1-7,14H,8H2
InChIKeyADAJUAOGFYMETI-UHFFFAOYSA-N
MW336.69 g/mol
LogP5.88
Rot. Bonds4

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

2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene (PubChem CID 155146174) has the molecular formula C15H10ClF5O and a molecular weight of 336.69 g/mol. Its IUPAC name is 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
PubChem CID155146174
Molecular FormulaC15H10ClF5O
Molecular Weight336.69 g/mol
Exact Mass336.03
IUPAC Name2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
SMILESFC(F)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H10ClF5O/c16-12-7-11(15(19,20)21)4-5-13(12)22-8-9-2-1-3-10(6-9)14(17)18/h1-7,14H,8H2
InChIKeyADAJUAOGFYMETI-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.69
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene (CID 155146174) is 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene is FC(F)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene?
The InChIKey is ADAJUAOGFYMETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF5O/c16-12-7-11(15(19,20)21)4-5-13(12)22-8-9-2-1-3-10(6-9)14(17)18/h1-7,14H,8H2.
What are the key properties of 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene?
2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene has a molecular weight of 336.69 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155146174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).