1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

C17H22F6O — CID 121476214

IUPAC1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(C(F)(F)OC2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C17H22F6O/c1-3-4-12-7-10-14(16(20,21)15(12,18)19)17(22,23)24-13-8-5-11(2)6-9-13/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyUVXCTOHOXBYLAH-UHFFFAOYSA-N
MW356.35 g/mol
LogP6.11
Rot. Bonds5

About 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene

1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (PubChem CID 121476214) has the molecular formula C17H22F6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
PubChem CID121476214
Molecular FormulaC17H22F6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
SMILESCCCC1=CC=C(C(F)(F)OC2CCC(C)CC2)C(F)(F)C1(F)F
InChIInChI=1S/C17H22F6O/c1-3-4-12-7-10-14(16(20,21)15(12,18)19)17(22,23)24-13-8-5-11(2)6-9-13/h7,10-11,13H,3-6,8-9H2,1-2H3
InChIKeyUVXCTOHOXBYLAH-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-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-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The IUPAC name of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene (CID 121476214) is 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The canonical SMILES for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is CCCC1=CC=C(C(F)(F)OC2CCC(C)CC2)C(F)(F)C1(F)F.
What is the InChIKey of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
The InChIKey is UVXCTOHOXBYLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F6O/c1-3-4-12-7-10-14(16(20,21)15(12,18)19)17(22,23)24-13-8-5-11(2)6-9-13/h7,10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene?
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene has a molecular weight of 356.35 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene is sourced from PubChem (CID 121476214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).