1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene

C18H24F6O — CID 121476211

IUPAC1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene
SMILESCCCC1CCC(OC(F)(F)C2=CC=C(CC)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C18H24F6O/c1-3-5-12-6-9-14(10-7-12)25-18(23,24)15-11-8-13(4-2)16(19,20)17(15,21)22/h8,11-12,14H,3-7,9-10H2,1-2H3
InChIKeyQNDNUXWPCRLKLL-UHFFFAOYSA-N
MW370.38 g/mol
LogP6.50
Rot. Bonds6

About 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene

1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene (PubChem CID 121476211) has the molecular formula C18H24F6O and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene
PubChem CID121476211
Molecular FormulaC18H24F6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene
SMILESCCCC1CCC(OC(F)(F)C2=CC=C(CC)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C18H24F6O/c1-3-5-12-6-9-14(10-7-12)25-18(23,24)15-11-8-13(4-2)16(19,20)17(15,21)22/h8,11-12,14H,3-7,9-10H2,1-2H3
InChIKeyQNDNUXWPCRLKLL-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The IUPAC name of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene (CID 121476211) is 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The canonical SMILES for 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene is CCCC1CCC(OC(F)(F)C2=CC=C(CC)C(F)(F)C2(F)F)CC1.
What is the InChIKey of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
The InChIKey is QNDNUXWPCRLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O/c1-3-5-12-6-9-14(10-7-12)25-18(23,24)15-11-8-13(4-2)16(19,20)17(15,21)22/h8,11-12,14H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene?
1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene has a molecular weight of 370.38 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-propylcyclohexyl)oxymethyl]-4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-diene is sourced from PubChem (CID 121476211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).