1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane

C9H14F4 — CID 18710873

IUPAC1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane
SMILESCC1CCC(C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H14F4/c1-6-2-4-7(5-3-6)9(12,13)8(10)11/h6-8H,2-5H2,1H3
InChIKeyHEVAGTPEZYMOAO-UHFFFAOYSA-N
MW198.20 g/mol
LogP3.71
Rot. Bonds2

About 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane

1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane (PubChem CID 18710873) has the molecular formula C9H14F4 and a molecular weight of 198.20 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane
PubChem CID18710873
Molecular FormulaC9H14F4
Molecular Weight198.20 g/mol
Exact Mass198.10
IUPAC Name1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane
SMILESCC1CCC(C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H14F4/c1-6-2-4-7(5-3-6)9(12,13)8(10)11/h6-8H,2-5H2,1H3
InChIKeyHEVAGTPEZYMOAO-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane?
The IUPAC name of 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane (CID 18710873) is 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane is CC1CCC(C(F)(F)C(F)F)CC1.
What is the InChIKey of 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane?
The InChIKey is HEVAGTPEZYMOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4/c1-6-2-4-7(5-3-6)9(12,13)8(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane?
1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane has a molecular weight of 198.20 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2,2-tetrafluoroethyl)cyclohexane is sourced from PubChem (CID 18710873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).