7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine

C7HClF10O — CID 154154030

IUPAC7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine
SMILESFC1=C(Cl)OC(F)(F)C(F)C(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C7HClF10O/c8-2-1(9)4(11,7(16,17)18)5(12,13)3(10)6(14,15)19-2/h3H
InChIKeyUXENOSBPYKESDS-UHFFFAOYSA-N
MW326.52 g/mol
LogP4.23
Rot. Bonds

About 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine

7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine (PubChem CID 154154030) has the molecular formula C7HClF10O and a molecular weight of 326.52 g/mol. Its IUPAC name is 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine.

Molecular Properties

Compound Name7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine
PubChem CID154154030
Molecular FormulaC7HClF10O
Molecular Weight326.52 g/mol
Exact Mass325.96
IUPAC Name7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine
SMILESFC1=C(Cl)OC(F)(F)C(F)C(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C7HClF10O/c8-2-1(9)4(11,7(16,17)18)5(12,13)3(10)6(14,15)19-2/h3H
InChIKeyUXENOSBPYKESDS-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 154989601
2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane
CID 23262814
5-[difluoro-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1,2,3,4,6-pentafluoro-5,6-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 141498998
1,2,3,4,4,6,6-heptafluoro-3-(trifluoromethyl)cyclohexene
CID 87708394
2,2,4,5-tetrafluoro-3H-furan-3-ol
CID 174533615
1,2,3,3,4,4-hexafluoro-5-methylcyclopentene
CID 87084189
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229
2,2,3,3,5,6-hexachloro-1,4-dioxine
CID 14912579
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762
3,4,4,5-tetrafluoro-3,5-bis(trifluoromethyl)oxane-2,6-dione
CID 87925233

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine?
The IUPAC name of 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine (CID 154154030) is 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine.
What is the SMILES notation for 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine?
The canonical SMILES for 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine is FC1=C(Cl)OC(F)(F)C(F)C(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine?
The InChIKey is UXENOSBPYKESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HClF10O/c8-2-1(9)4(11,7(16,17)18)5(12,13)3(10)6(14,15)19-2/h3H.
What are the key properties of 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine?
7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine has a molecular weight of 326.52 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2,3,4,4,5,6-heptafluoro-5-(trifluoromethyl)-3H-oxepine is sourced from PubChem (CID 154154030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).