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

C14H10ClF3O — CID 141398456

IUPAC1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
SMILESFC(F)(F)Oc1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3O/c15-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)19-14(16,17)18/h1-8H,9H2
InChIKeyCGRGFKFXJUSELY-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.83
Rot. Bonds3

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

1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene (PubChem CID 141398456) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
PubChem CID141398456
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
SMILESFC(F)(F)Oc1ccccc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3O/c15-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)19-14(16,17)18/h1-8H,9H2
InChIKeyCGRGFKFXJUSELY-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromoethoxy)-2-[(4-chlorophenyl)methyl]benzene
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1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961
CID 142546618
CID 142546618
dichloro-[[2-(trifluoromethoxy)phenyl]methyl]silane
CID 149252031
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
1-(chloromethoxymethyl)-2-(trifluoromethoxy)benzene
CID 166609590
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560
1-(4-chlorophenyl)-6-hydroxy-2-sulfanylidene-5-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene?
The IUPAC name of 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene (CID 141398456) is 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene.
What is the SMILES notation for 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene?
The canonical SMILES for 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene is FC(F)(F)Oc1ccccc1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene?
The InChIKey is CGRGFKFXJUSELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)19-14(16,17)18/h1-8H,9H2.
What are the key properties of 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene?
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene has a molecular weight of 286.68 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene is sourced from PubChem (CID 141398456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).