phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone

C17H12F6O2 — CID 150620542

IUPACphenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(CC(F)(F)F)cc1OCC(F)(F)F
InChIInChI=1S/C17H12F6O2/c18-16(19,20)9-11-6-7-13(14(8-11)25-10-17(21,22)23)15(24)12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKeyIVUQWLRIVHPNGP-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.96
Rot. Bonds5

About phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone

phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone (PubChem CID 150620542) has the molecular formula C17H12F6O2 and a molecular weight of 362.27 g/mol. Its IUPAC name is phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone
PubChem CID150620542
Molecular FormulaC17H12F6O2
Molecular Weight362.27 g/mol
Exact Mass362.07
IUPAC Namephenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(CC(F)(F)F)cc1OCC(F)(F)F
InChIInChI=1S/C17H12F6O2/c18-16(19,20)9-11-6-7-13(14(8-11)25-10-17(21,22)23)15(24)12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKeyIVUQWLRIVHPNGP-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-3-butoxybenzoic acid
CID 21440121
phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
CID 67804020
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone
CID 177401034
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-benzoyl-3-(4-carboxyphenoxy)benzoic acid
CID 70204414
N-(2-benzamidoethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3657845
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone?
The IUPAC name of phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone (CID 150620542) is phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone?
The canonical SMILES for phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone is O=C(c1ccccc1)c1ccc(CC(F)(F)F)cc1OCC(F)(F)F.
What is the InChIKey of phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone?
The InChIKey is IVUQWLRIVHPNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6O2/c18-16(19,20)9-11-6-7-13(14(8-11)25-10-17(21,22)23)15(24)12-4-2-1-3-5-12/h1-8H,9-10H2.
What are the key properties of phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone?
phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone has a molecular weight of 362.27 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone is sourced from PubChem (CID 150620542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).