1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene

C10H8F6O — CID 134271412

IUPAC1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene
SMILESCC(F)(F)Oc1ccc(CC(F)(F)F)cc1F
InChIInChI=1S/C10H8F6O/c1-9(12,13)17-8-3-2-6(4-7(8)11)5-10(14,15)16/h2-4H,5H2,1H3
InChIKeyGGJKVZPQVVOKGC-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.92
Rot. Bonds3

About 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene

1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 134271412) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene
PubChem CID134271412
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene
SMILESCC(F)(F)Oc1ccc(CC(F)(F)F)cc1F
InChIInChI=1S/C10H8F6O/c1-9(12,13)17-8-3-2-6(4-7(8)11)5-10(14,15)16/h2-4H,5H2,1H3
InChIKeyGGJKVZPQVVOKGC-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
CID 71232413
2-[4-(2,2-dimethylpropyl)-2-fluorophenoxy]ethanamine
CID 156509242
3-(4-ethoxy-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 95447001
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 138985656
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-fluoro-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 112566865
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
CID 122575553
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
CID 178139316

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene (CID 134271412) is 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene is CC(F)(F)Oc1ccc(CC(F)(F)F)cc1F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is GGJKVZPQVVOKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-9(12,13)17-8-3-2-6(4-7(8)11)5-10(14,15)16/h2-4H,5H2,1H3.
What are the key properties of 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene?
1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 258.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-2-fluoro-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 134271412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).