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

C14H10ClF3O2 — CID 64763975

IUPAC1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESFC(F)(F)Oc1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C14H10ClF3O2/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)20-14(16,17)18/h1-8H,9H2
InChIKeyDQZSTCGCAPFADF-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.82
Rot. Bonds4

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

1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (PubChem CID 64763975) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
PubChem CID64763975
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESFC(F)(F)Oc1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C14H10ClF3O2/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)20-14(16,17)18/h1-8H,9H2
InChIKeyDQZSTCGCAPFADF-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
CID 91655253
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
N-[[4-[(2-chlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62454422
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
CID 172676595
2-[(4-chlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007960
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The IUPAC name of 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (CID 64763975) is 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.
What is the SMILES notation for 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The canonical SMILES for 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is FC(F)(F)Oc1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The InChIKey is DQZSTCGCAPFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)20-14(16,17)18/h1-8H,9H2.
What are the key properties of 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene has a molecular weight of 302.68 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is sourced from PubChem (CID 64763975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).