4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane

C15H18F10O — CID 59672092

IUPAC4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC1(C)C(C2CCCCC2)OC1(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F10O/c1-10(2)9(8-6-4-3-5-7-8)26-11(10,12(16,17)14(20,21)22)13(18,19)15(23,24)25/h8-9H,3-7H2,1-2H3
InChIKeyGSHSWOPVKFOOGZ-UHFFFAOYSA-N
MW404.29 g/mol
LogP6.13
Rot. Bonds3

About 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane

4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane (PubChem CID 59672092) has the molecular formula C15H18F10O and a molecular weight of 404.29 g/mol. Its IUPAC name is 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane.

Molecular Properties

Compound Name4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane
PubChem CID59672092
Molecular FormulaC15H18F10O
Molecular Weight404.29 g/mol
Exact Mass404.12
IUPAC Name4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane
SMILESCC1(C)C(C2CCCCC2)OC1(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H18F10O/c1-10(2)9(8-6-4-3-5-7-8)26-11(10,12(16,17)14(20,21)22)13(18,19)15(23,24)25/h8-9H,3-7H2,1-2H3
InChIKeyGSHSWOPVKFOOGZ-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.29
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane with MolForge

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

Launch Full Analysis

Related Compounds

(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-Butan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-5-(1,1,1-trifluoro-2-pentoxypropan-2-yl)cyclohexane
CID 58051840
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572
1-(3,3-Difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275596
8,8-Bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane
CID 58481002
1-Methyl-3-(trifluoromethyl)-2-oxaspiro[3.5]nonane
CID 58640588
3,3-Dimethyl-2-pentyl-4-(trifluoromethyl)oxetane
CID 58640657
[2-(2-Ethyl-3-hydroperoxy-2-methylbutoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823664
[2,2,2-Trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
CID 58952846
[1,1,1,3,3,3-Hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
CID 58969682
1-Tert-butyl-3,4-difluoro-2-methoxycyclohexane
CID 59927879

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane?
The IUPAC name of 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane (CID 59672092) is 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane.
What is the SMILES notation for 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane?
The canonical SMILES for 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane is CC1(C)C(C2CCCCC2)OC1(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane?
The InChIKey is GSHSWOPVKFOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F10O/c1-10(2)9(8-6-4-3-5-7-8)26-11(10,12(16,17)14(20,21)22)13(18,19)15(23,24)25/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane?
4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane has a molecular weight of 404.29 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,3-dimethyl-2,2-bis(1,1,2,2,2-pentafluoroethyl)oxetane is sourced from PubChem (CID 59672092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).