1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene

C10H13ClF2 — CID 163555287

IUPAC1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC(F)=C(Cl)C(C)(F)C1
InChIInChI=1S/C10H13ClF2/c1-6(2)7-4-8(12)9(11)10(3,13)5-7/h4,6H,5H2,1-3H3
InChIKeyFMMZFCSFPHAZRI-UHFFFAOYSA-N
MW206.66 g/mol
LogP4.12
Rot. Bonds1

About 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene

1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene (PubChem CID 163555287) has the molecular formula C10H13ClF2 and a molecular weight of 206.66 g/mol. Its IUPAC name is 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene
PubChem CID163555287
Molecular FormulaC10H13ClF2
Molecular Weight206.66 g/mol
Exact Mass206.07
IUPAC Name1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1=CC(F)=C(Cl)C(C)(F)C1
InChIInChI=1S/C10H13ClF2/c1-6(2)7-4-8(12)9(11)10(3,13)5-7/h4,6H,5H2,1-3H3
InChIKeyFMMZFCSFPHAZRI-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene (CID 163555287) is 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene is CC(C)C1=CC(F)=C(Cl)C(C)(F)C1.
What is the InChIKey of 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is FMMZFCSFPHAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2/c1-6(2)7-4-8(12)9(11)10(3,13)5-7/h4,6H,5H2,1-3H3.
What are the key properties of 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene?
1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 206.66 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,6-difluoro-6-methyl-4-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 163555287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).