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

C9H14F4O — CID 21137276

IUPAC1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H14F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h6-8H,2-5H2,1H3
InChIKeyVKEKHLCJHFSHFC-UHFFFAOYSA-N
MW214.20 g/mol
LogP3.44
Rot. Bonds3

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

1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane (PubChem CID 21137276) has the molecular formula C9H14F4O and a molecular weight of 214.20 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane
PubChem CID21137276
Molecular FormulaC9H14F4O
Molecular Weight214.20 g/mol
Exact Mass214.10
IUPAC Name1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane
SMILESCC1CCC(OC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H14F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h6-8H,2-5H2,1H3
InChIKeyVKEKHLCJHFSHFC-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tetrafluoroethoxy)cyclohexane?
The IUPAC name of 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane (CID 21137276) is 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane.
What is the SMILES notation for 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
The canonical SMILES for 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane is CC1CCC(OC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
The InChIKey is VKEKHLCJHFSHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane has a molecular weight of 214.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2,2-tetrafluoroethoxy)cyclohexane is sourced from PubChem (CID 21137276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).