2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene

C16H10F8O — CID 142793986

IUPAC2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)ccc1COCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C16H10F8O/c17-13-5-11(15(19,20)21)3-1-9(13)7-25-8-10-2-4-12(6-14(10)18)16(22,23)24/h1-6H,7-8H2
InChIKeyPHMWUOQDHXOBRW-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.72
Rot. Bonds4

About 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene

2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene (PubChem CID 142793986) has the molecular formula C16H10F8O and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
PubChem CID142793986
Molecular FormulaC16H10F8O
Molecular Weight370.24 g/mol
Exact Mass370.06
IUPAC Name2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)ccc1COCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C16H10F8O/c17-13-5-11(15(19,20)21)3-1-9(13)7-25-8-10-2-4-12(6-14(10)18)16(22,23)24/h1-6H,7-8H2
InChIKeyPHMWUOQDHXOBRW-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117319005
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915
1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 175235216
1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
CID 90702752
3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylic acid
CID 131964994
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium
CID 158973128
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 143085806
[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate
CID 175237979
3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117414551

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene (CID 142793986) is 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)ccc1COCc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene?
The InChIKey is PHMWUOQDHXOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F8O/c17-13-5-11(15(19,20)21)3-1-9(13)7-25-8-10-2-4-12(6-14(10)18)16(22,23)24/h1-6H,7-8H2.
What are the key properties of 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene?
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene has a molecular weight of 370.24 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 142793986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).