[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene

C16H12F6O — CID 13207006

IUPAC[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene
SMILESFC(F)(F)C(OC(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12F6O/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyIRCMZJMLDNJTEV-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.61
Rot. Bonds4

About [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene

[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene (PubChem CID 13207006) has the molecular formula C16H12F6O and a molecular weight of 334.26 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene
PubChem CID13207006
Molecular FormulaC16H12F6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene
SMILESFC(F)(F)C(OC(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12F6O/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyIRCMZJMLDNJTEV-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene?
The IUPAC name of [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene (CID 13207006) is [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene.
What is the SMILES notation for [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene?
The canonical SMILES for [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene is FC(F)(F)C(OC(c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene?
The InChIKey is IRCMZJMLDNJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O/c17-15(18,19)13(11-7-3-1-4-8-11)23-14(16(20,21)22)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene?
[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene has a molecular weight of 334.26 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethoxy)ethyl]benzene is sourced from PubChem (CID 13207006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).