[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone

C16H10F6O2 — CID 19821213

IUPAC[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C16H10F6O2/c17-14(15(18,19)20)16(21,22)24-12-9-5-4-8-11(12)13(23)10-6-2-1-3-7-10/h1-9,14H
InChIKeyFDIUNFSZAYGDHF-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.79
Rot. Bonds5

About [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone

[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone (PubChem CID 19821213) has the molecular formula C16H10F6O2 and a molecular weight of 348.24 g/mol. Its IUPAC name is [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
PubChem CID19821213
Molecular FormulaC16H10F6O2
Molecular Weight348.24 g/mol
Exact Mass348.06
IUPAC Name[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C16H10F6O2/c17-14(15(18,19)20)16(21,22)24-12-9-5-4-8-11(12)13(23)10-6-2-1-3-7-10/h1-9,14H
InChIKeyFDIUNFSZAYGDHF-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
2,4-bis(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 162396628
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
CID 67804020
[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-4-fluorophenyl]-phenylmethanone
CID 88695083
N-carbamoyl-N-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzamide
CID 160756565
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
2-(2-benzoylphenoxy)-2-phenylacetic acid
CID 135075285
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428

Frequently Asked Questions

What is the IUPAC name of [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone (CID 19821213) is [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1OC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone?
The InChIKey is FDIUNFSZAYGDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O2/c17-14(15(18,19)20)16(21,22)24-12-9-5-4-8-11(12)13(23)10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone?
[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone has a molecular weight of 348.24 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 19821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).