4-methyl-1,2-bis(trifluoromethoxy)cyclohexane

C9H12F6O2 — CID 20643370

IUPAC4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)F)C(OC(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c1-5-2-3-6(16-8(10,11)12)7(4-5)17-9(13,14)15/h5-7H,2-4H2,1H3
InChIKeyWSDFNSUTWJVTKC-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.62
Rot. Bonds2

About 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane

4-methyl-1,2-bis(trifluoromethoxy)cyclohexane (PubChem CID 20643370) has the molecular formula C9H12F6O2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
PubChem CID20643370
Molecular FormulaC9H12F6O2
Molecular Weight266.18 g/mol
Exact Mass266.07
IUPAC Name4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)F)C(OC(F)(F)F)C1
InChIInChI=1S/C9H12F6O2/c1-5-2-3-6(16-8(10,11)12)7(4-5)17-9(13,14)15/h5-7H,2-4H2,1H3
InChIKeyWSDFNSUTWJVTKC-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(trifluoromethoxy)cyclohexane;methane;molecular hydrogen;hydrate
CID 158904100
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)cyclohexyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 89094542
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 162553401
(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,4-dimethylcyclohexan-1-amine
CID 102721871
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
CID 178126696
(1R,2R,4S)-2-methoxy-1,4-dimethylcyclohexane
CID 167287660
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
(4-methyl-2-methylsulfonyloxycyclohexyl) methanesulfonate
CID 101451138
cis-(1R,2S)-1,4-dimethyl-2-(trifluoromethyl)cyclohexane
CID 155313115

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
The IUPAC name of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane (CID 20643370) is 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
The canonical SMILES for 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane is CC1CCC(OC(F)(F)F)C(OC(F)(F)F)C1.
What is the InChIKey of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
The InChIKey is WSDFNSUTWJVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O2/c1-5-2-3-6(16-8(10,11)12)7(4-5)17-9(13,14)15/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane?
4-methyl-1,2-bis(trifluoromethoxy)cyclohexane has a molecular weight of 266.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-bis(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 20643370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).