2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene

C10H10F6 — CID 147729970

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene
SMILESCC1C=C(C(C(F)(F)F)C(F)(F)F)C=CC1
InChIInChI=1S/C10H10F6/c1-6-3-2-4-7(5-6)8(9(11,12)13)10(14,15)16/h2,4-6,8H,3H2,1H3
InChIKeyGYFNPJWUVSCQME-UHFFFAOYSA-N
MW244.18 g/mol
LogP4.25
Rot. Bonds1

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene

2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene (PubChem CID 147729970) has the molecular formula C10H10F6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene
PubChem CID147729970
Molecular FormulaC10H10F6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene
SMILESCC1C=C(C(C(F)(F)F)C(F)(F)F)C=CC1
InChIInChI=1S/C10H10F6/c1-6-3-2-4-7(5-6)8(9(11,12)13)10(14,15)16/h2,4-6,8H,3H2,1H3
InChIKeyGYFNPJWUVSCQME-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene (CID 147729970) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene is CC1C=C(C(C(F)(F)F)C(F)(F)F)C=CC1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene?
The InChIKey is GYFNPJWUVSCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6/c1-6-3-2-4-7(5-6)8(9(11,12)13)10(14,15)16/h2,4-6,8H,3H2,1H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene?
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene has a molecular weight of 244.18 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 147729970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).