1-methyl-4-(trifluoromethyl)cyclohexane;propane

C11H21F3 — CID 162029179

IUPAC1-methyl-4-(trifluoromethyl)cyclohexane;propane
SMILESCC1CCC(C(F)(F)F)CC1.CCC
InChIInChI=1S/C8H13F3.C3H8/c1-6-2-4-7(5-3-6)8(9,10)11;1-3-2/h6-7H,2-5H2,1H3;3H2,1-2H3
InChIKeyYVUDITKOFLFSPV-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.79
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)cyclohexane;propane

1-methyl-4-(trifluoromethyl)cyclohexane;propane (PubChem CID 162029179) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)cyclohexane;propane.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)cyclohexane;propane
PubChem CID162029179
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-methyl-4-(trifluoromethyl)cyclohexane;propane
SMILESCC1CCC(C(F)(F)F)CC1.CCC
InChIInChI=1S/C8H13F3.C3H8/c1-6-2-4-7(5-3-6)8(9,10)11;1-3-2/h6-7H,2-5H2,1H3;3H2,1-2H3
InChIKeyYVUDITKOFLFSPV-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
(4-methylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105153876
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
CID 140689381
2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
CID 112565905
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)cyclohexane;propane?
The IUPAC name of 1-methyl-4-(trifluoromethyl)cyclohexane;propane (CID 162029179) is 1-methyl-4-(trifluoromethyl)cyclohexane;propane.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)cyclohexane;propane?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)cyclohexane;propane is CC1CCC(C(F)(F)F)CC1.CCC.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)cyclohexane;propane?
The InChIKey is YVUDITKOFLFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3.C3H8/c1-6-2-4-7(5-3-6)8(9,10)11;1-3-2/h6-7H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)cyclohexane;propane?
1-methyl-4-(trifluoromethyl)cyclohexane;propane has a molecular weight of 210.28 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)cyclohexane;propane is sourced from PubChem (CID 162029179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).