1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane

C11H14F6O — CID 102010410

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane
SMILESCC1CCC(=COC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H14F6O/c1-7-2-4-8(5-3-7)6-18-9(10(12,13)14)11(15,16)17/h6-7,9H,2-5H2,1H3/b8-6-
InChIKeyUOTJYYMULPQYCW-VURMDHGXSA-N
MW276.22 g/mol
LogP4.59
Rot. Bonds2

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane (PubChem CID 102010410) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane
PubChem CID102010410
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane
SMILESCC1CCC(=COC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H14F6O/c1-7-2-4-8(5-3-7)6-18-9(10(12,13)14)11(15,16)17/h6-7,9H,2-5H2,1H3/b8-6-
InChIKeyUOTJYYMULPQYCW-VURMDHGXSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(7,7-Difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane
CID 20599447
1,1-difluoro-4-[(E)-2-methoxyethenyl]cyclohexane
CID 59581239
1-(Methoxymethylidene)-4-(trifluoromethyl)cyclohexane
CID 68212335
1,1-Difluoro-4-(2-methoxyethenyl)cyclohexane
CID 72331677
1-Methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane
CID 102010409
1-Methyl-4-(propan-2-yloxymethylidene)cyclohexane
CID 130057972

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane (CID 102010410) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane is CC1CCC(=COC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane?
The InChIKey is UOTJYYMULPQYCW-VURMDHGXSA-N. The full InChI is InChI=1S/C11H14F6O/c1-7-2-4-8(5-3-7)6-18-9(10(12,13)14)11(15,16)17/h6-7,9H,2-5H2,1H3/b8-6-.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane has a molecular weight of 276.22 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethylidene)-4-methylcyclohexane is sourced from PubChem (CID 102010410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).