1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene

C10H14F2 — CID 90950295

IUPAC1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=C(F)C(F)C(C(C)C)C=C1
InChIInChI=1S/C10H14F2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,8,10H,1-3H3
InChIKeyZDZYSNMLXFRFNN-UHFFFAOYSA-N
MW172.22 g/mol
LogP3.41
Rot. Bonds1

About 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene

1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 90950295) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID90950295
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC1=C(F)C(F)C(C(C)C)C=C1
InChIInChI=1S/C10H14F2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,8,10H,1-3H3
InChIKeyZDZYSNMLXFRFNN-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene (CID 90950295) is 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene is CC1=C(F)C(F)C(C(C)C)C=C1.
What is the InChIKey of 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is ZDZYSNMLXFRFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4-6,8,10H,1-3H3.
What are the key properties of 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene?
1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 172.22 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 90950295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).