1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

C16H11F7O — CID 87305693

IUPAC1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
SMILESFc1cccc(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F7O/c17-14-3-1-2-10(6-14)8-24-9-11-4-12(15(18,19)20)7-13(5-11)16(21,22)23/h1-7H,8-9H2
InChIKeyCWBPFQYTKRLYIY-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.58
Rot. Bonds4

About 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 87305693) has the molecular formula C16H11F7O and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID87305693
Molecular FormulaC16H11F7O
Molecular Weight352.25 g/mol
Exact Mass352.07
IUPAC Name1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
SMILESFc1cccc(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H11F7O/c17-14-3-1-2-10(6-14)8-24-9-11-4-12(15(18,19)20)7-13(5-11)16(21,22)23/h1-7H,8-9H2
InChIKeyCWBPFQYTKRLYIY-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
CID 10658713
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite
CID 87155521
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxymethanamine
CID 113341793
4-[(3-fluorophenyl)methoxy]-1-phenyl-2-(trifluoromethyl)benzene
CID 141169657

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (CID 87305693) is 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is Fc1cccc(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is CWBPFQYTKRLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7O/c17-14-3-1-2-10(6-14)8-24-9-11-4-12(15(18,19)20)7-13(5-11)16(21,22)23/h1-7H,8-9H2.
What are the key properties of 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 352.25 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 87305693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).