[difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane

C9H11F5O — CID 71045763

IUPAC[difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane
SMILESFC(F)=C(F)OC(F)(F)C1CCCCC1
InChIInChI=1S/C9H11F5O/c10-7(11)8(12)15-9(13,14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyHFDAUAZGIOVRFT-UHFFFAOYSA-N
MW230.18 g/mol
LogP4.21
Rot. Bonds3

About [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane

[difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane (PubChem CID 71045763) has the molecular formula C9H11F5O and a molecular weight of 230.18 g/mol. Its IUPAC name is [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane.

Molecular Properties

Compound Name[difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane
PubChem CID71045763
Molecular FormulaC9H11F5O
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name[difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane
SMILESFC(F)=C(F)OC(F)(F)C1CCCCC1
InChIInChI=1S/C9H11F5O/c10-7(11)8(12)15-9(13,14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyHFDAUAZGIOVRFT-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane?
The IUPAC name of [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane (CID 71045763) is [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane.
What is the SMILES notation for [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane?
The canonical SMILES for [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane is FC(F)=C(F)OC(F)(F)C1CCCCC1.
What is the InChIKey of [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane?
The InChIKey is HFDAUAZGIOVRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O/c10-7(11)8(12)15-9(13,14)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane?
[difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane has a molecular weight of 230.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(1,2,2-trifluoroethenoxy)methyl]cyclohexane is sourced from PubChem (CID 71045763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).