1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene

C10H11F7 — CID 175034555

IUPAC1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene
SMILESCC(C)C1(F)C(F)=C(F)C(F)C(F)(F)C1(C)F
InChIInChI=1S/C10H11F7/c1-4(2)9(15)6(12)5(11)7(13)10(16,17)8(9,3)14/h4,7H,1-3H3
InChIKeyFHGIPEOTATXKRJ-UHFFFAOYSA-N
MW264.18 g/mol
LogP4.22
Rot. Bonds1

About 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene

1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene (PubChem CID 175034555) has the molecular formula C10H11F7 and a molecular weight of 264.18 g/mol. Its IUPAC name is 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene
PubChem CID175034555
Molecular FormulaC10H11F7
Molecular Weight264.18 g/mol
Exact Mass264.07
IUPAC Name1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene
SMILESCC(C)C1(F)C(F)=C(F)C(F)C(F)(F)C1(C)F
InChIInChI=1S/C10H11F7/c1-4(2)9(15)6(12)5(11)7(13)10(16,17)8(9,3)14/h4,7H,1-3H3
InChIKeyFHGIPEOTATXKRJ-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene?
The IUPAC name of 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene (CID 175034555) is 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene.
What is the SMILES notation for 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene?
The canonical SMILES for 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene is CC(C)C1(F)C(F)=C(F)C(F)C(F)(F)C1(C)F.
What is the InChIKey of 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene?
The InChIKey is FHGIPEOTATXKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7/c1-4(2)9(15)6(12)5(11)7(13)10(16,17)8(9,3)14/h4,7H,1-3H3.
What are the key properties of 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene?
1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene has a molecular weight of 264.18 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5,6-heptafluoro-4-methyl-3-propan-2-ylcyclohexene is sourced from PubChem (CID 175034555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).