1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen

C22H44F4 — CID 158338121

IUPAC1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen
SMILESCC1CCC(C(F)(F)CF)CC1.CC1CCC(C2CCC(F)CC2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C13H23F.C9H15F3.3H2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-7-2-4-8(5-3-7)9(11,12)6-10;;;/h10-13H,2-9H2,1H3;7-8H,2-6H2,1H3;3*1H
InChIKeyGQVHWHJJAUJYKI-UHFFFAOYSA-N
MW384.59 g/mol
LogP8.50
Rot. Bonds3

About 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen

1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen (PubChem CID 158338121) has the molecular formula C22H44F4 and a molecular weight of 384.59 g/mol. Its IUPAC name is 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen.

Molecular Properties

Compound Name1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen
PubChem CID158338121
Molecular FormulaC22H44F4
Molecular Weight384.59 g/mol
Exact Mass384.34
IUPAC Name1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen
SMILESCC1CCC(C(F)(F)CF)CC1.CC1CCC(C2CCC(F)CC2)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C13H23F.C9H15F3.3H2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-7-2-4-8(5-3-7)9(11,12)6-10;;;/h10-13H,2-9H2,1H3;7-8H,2-6H2,1H3;3*1H
InChIKeyGQVHWHJJAUJYKI-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen with MolForge

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Related Compounds

1-(4-fluorocyclohexyl)-4-methylcycloheptane
CID 142144551
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-(fluoromethoxy)benzene
CID 20596725
1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;1,2,3-trifluoro-4-methylcyclohexane;tetrahydrate
CID 162089536
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
(1R)-1-fluoro-4-methylcycloheptane
CID 155056751
1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 70917025
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
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;methane;molecular hydrogen;dihydrate
CID 159408600
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen?
The IUPAC name of 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen (CID 158338121) is 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen.
What is the SMILES notation for 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen?
The canonical SMILES for 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen is CC1CCC(C(F)(F)CF)CC1.CC1CCC(C2CCC(F)CC2)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen?
The InChIKey is GQVHWHJJAUJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F.C9H15F3.3H2/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-7-2-4-8(5-3-7)9(11,12)6-10;;;/h10-13H,2-9H2,1H3;7-8H,2-6H2,1H3;3*1H.
What are the key properties of 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen?
1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen has a molecular weight of 384.59 g/mol, XLogP of 8.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(1,1,2-trifluoroethyl)cyclohexane;molecular hydrogen is sourced from PubChem (CID 158338121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).