1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane

C10H15F3O — CID 102010409

IUPAC1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane
SMILESCC1CCC(=COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h6,8H,2-5,7H2,1H3/b9-6-
InChIKeyPSUWTSMTKLUBHE-TWGQIWQCSA-N
MW208.22 g/mol
LogP3.66
Rot. Bonds2

About 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane

1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane (PubChem CID 102010409) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane
PubChem CID102010409
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane
SMILESCC1CCC(=COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h6,8H,2-5,7H2,1H3/b9-6-
InChIKeyPSUWTSMTKLUBHE-TWGQIWQCSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.66
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-(Methoxymethylene)-4-methylcyclohexane
CID 23401550
[(Z)-3,3,3-trifluoro-1-methoxyprop-1-en-2-yl]cyclopentane
CID 18986347
1-(7,7-Difluorohept-6-enyl)-4-(methoxymethylidene)cyclohexane
CID 20599447
(3,3,3-Trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane
CID 54408855
1-(Difluoromethylidene)-4-(methoxymethylidene)cyclohexane
CID 57996538
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
But-1-en-2-ylcyclohexane;ethane;trifluoro(methoxy)methane
CID 145504387
3-tert-butyl-5-(trifluoromethyl)-4H-pyran
CID 165371972
(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol
CID 174047093
[1-Cyclohexyl-2-(trifluoromethoxy)ethenyl]cyclohexane
CID 174691238

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane (CID 102010409) is 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane is CC1CCC(=COCC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane?
The InChIKey is PSUWTSMTKLUBHE-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15F3O/c1-8-2-4-9(5-3-8)6-14-7-10(11,12)13/h6,8H,2-5,7H2,1H3/b9-6-.
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane?
1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane has a molecular weight of 208.22 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethoxymethylidene)cyclohexane is sourced from PubChem (CID 102010409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).