2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene

C10H9F7 — CID 131983393

IUPAC2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)C1=C(F)C(F)=C(C(F)(F)F)C(F)C1F
InChIInChI=1S/C10H9F7/c1-3(2)4-6(11)8(13)5(10(15,16)17)9(14)7(4)12/h3,6,8H,1-2H3
InChIKeyBVIYEYCWHFRNCY-UHFFFAOYSA-N
MW262.17 g/mol
LogP4.34
Rot. Bonds1

About 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene

2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 131983393) has the molecular formula C10H9F7 and a molecular weight of 262.17 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID131983393
Molecular FormulaC10H9F7
Molecular Weight262.17 g/mol
Exact Mass262.06
IUPAC Name2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC(C)C1=C(F)C(F)=C(C(F)(F)F)C(F)C1F
InChIInChI=1S/C10H9F7/c1-3(2)4-6(11)8(13)5(10(15,16)17)9(14)7(4)12/h3,6,8H,1-2H3
InChIKeyBVIYEYCWHFRNCY-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene (CID 131983393) is 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene is CC(C)C1=C(F)C(F)=C(C(F)(F)F)C(F)C1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is BVIYEYCWHFRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7/c1-3(2)4-6(11)8(13)5(10(15,16)17)9(14)7(4)12/h3,6,8H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene?
2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 262.17 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-1-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 131983393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).