2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane

C12H20F4 — CID 123894644

IUPAC2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane
SMILESCC1CCC(CCCCC(F)(F)F)CC1F
InChIInChI=1S/C12H20F4/c1-9-5-6-10(8-11(9)13)4-2-3-7-12(14,15)16/h9-11H,2-8H2,1H3
InChIKeyZYPQNDKSHPJGOS-UHFFFAOYSA-N
MW240.28 g/mol
LogP4.88
Rot. Bonds4

About 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane

2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane (PubChem CID 123894644) has the molecular formula C12H20F4 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane
PubChem CID123894644
Molecular FormulaC12H20F4
Molecular Weight240.28 g/mol
Exact Mass240.15
IUPAC Name2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane
SMILESCC1CCC(CCCCC(F)(F)F)CC1F
InChIInChI=1S/C12H20F4/c1-9-5-6-10(8-11(9)13)4-2-3-7-12(14,15)16/h9-11H,2-8H2,1H3
InChIKeyZYPQNDKSHPJGOS-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57322732
1-pentyl-4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexane
CID 57002742
1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane
CID 169209459
4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 83262332
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
4,4,4-trifluorobutylcyclopentane
CID 149313516
2-fluoro-1-methyl-4-(trifluoromethyl)cyclohexane
CID 121477054
8-(5,5,5-trifluoropentyl)-1,4-dioxaspiro[4.5]decane
CID 58329762
5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015
4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
CID 88959947
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924
1-(3-cyclopropylpropyl)-2-methylcyclobutane
CID 123311649

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane?
The IUPAC name of 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane (CID 123894644) is 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane.
What is the SMILES notation for 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane?
The canonical SMILES for 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane is CC1CCC(CCCCC(F)(F)F)CC1F.
What is the InChIKey of 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane?
The InChIKey is ZYPQNDKSHPJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4/c1-9-5-6-10(8-11(9)13)4-2-3-7-12(14,15)16/h9-11H,2-8H2,1H3.
What are the key properties of 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane?
2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane has a molecular weight of 240.28 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-(5,5,5-trifluoropentyl)cyclohexane is sourced from PubChem (CID 123894644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).