1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane

C11H19F3 — CID 169209459

IUPAC1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane
SMILESCC1CCCC(CCCC(F)(F)F)C1
InChIInChI=1S/C11H19F3/c1-9-4-2-5-10(8-9)6-3-7-11(12,13)14/h9-10H,2-8H2,1H3
InChIKeyBLSFVIMPMIVTPH-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.55
Rot. Bonds3

About 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane

1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane (PubChem CID 169209459) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane
PubChem CID169209459
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane
SMILESCC1CCCC(CCCC(F)(F)F)C1
InChIInChI=1S/C11H19F3/c1-9-4-2-5-10(8-9)6-3-7-11(12,13)14/h9-10H,2-8H2,1H3
InChIKeyBLSFVIMPMIVTPH-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,4-trifluorobutylcyclopentane
CID 149313516
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
2-methyl-1-[2-(3-methylcyclohexyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111985509
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
CID 158750937
2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane
CID 123894644
4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 83262332
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol
CID 162553293

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane?
The IUPAC name of 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane (CID 169209459) is 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane.
What is the SMILES notation for 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane?
The canonical SMILES for 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane is CC1CCCC(CCCC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane?
The InChIKey is BLSFVIMPMIVTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c1-9-4-2-5-10(8-9)6-3-7-11(12,13)14/h9-10H,2-8H2,1H3.
What are the key properties of 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane?
1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane has a molecular weight of 208.27 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane is sourced from PubChem (CID 169209459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).