1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane

C15H20F6O2 — CID 176591354

IUPAC1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(COC2=C(C)C(F)(F)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C15H20F6O2/c1-9-12(14(18,19)15(20,21)13(9,16)17)23-8-11-5-3-10(4-6-11)7-22-2/h10-11H,3-8H2,1-2H3
InChIKeyYBIKPAVMOVMRCL-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.65
Rot. Bonds5

About 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane

1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane (PubChem CID 176591354) has the molecular formula C15H20F6O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane
PubChem CID176591354
Molecular FormulaC15H20F6O2
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC Name1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(COC2=C(C)C(F)(F)C(F)(F)C2(F)F)CC1
InChIInChI=1S/C15H20F6O2/c1-9-12(14(18,19)15(20,21)13(9,16)17)23-8-11-5-3-10(4-6-11)7-22-2/h10-11H,3-8H2,1-2H3
InChIKeyYBIKPAVMOVMRCL-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-Cyclohexyl-1-ethoxy-2,3,3,3-tetrafluoro-1-propene
CID 11791301
1,4,5,5,6,6-Hexafluoro-2,3-dimethoxybicyclo[2.2.2]oct-2-ene
CID 623904
1-Ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
CID 118882410
5,5,6,6-Tetrafluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene
CID 137537856
1-Ethyl-5,5,6,6-tetrafluoro-4-[(4-methylcyclohexyl)methoxy]cyclohexa-1,3-diene
CID 144809487
2,3-Difluoro-1-[(4-methylcyclohexyl)methoxy]-4-(3,3,4,4-tetrafluoro-5-methylhexa-1,5-dien-2-yl)cyclohexa-1,3-diene
CID 144809505
1,4-Bis[(3,3,4,4,5,5-hexafluoro-2-propoxycyclopenten-1-yl)oxymethyl]cyclohexane
CID 176591318
3,3,4,4,5,5-Hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
CID 176591338

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane?
The IUPAC name of 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane (CID 176591354) is 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane?
The canonical SMILES for 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane is COCC1CCC(COC2=C(C)C(F)(F)C(F)(F)C2(F)F)CC1.
What is the InChIKey of 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane?
The InChIKey is YBIKPAVMOVMRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6O2/c1-9-12(14(18,19)15(20,21)13(9,16)17)23-8-11-5-3-10(4-6-11)7-22-2/h10-11H,3-8H2,1-2H3.
What are the key properties of 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane?
1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane has a molecular weight of 346.31 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3,4,4,5,5-hexafluoro-2-methylcyclopenten-1-yl)oxymethyl]-4-(methoxymethyl)cyclohexane is sourced from PubChem (CID 176591354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).