2-[chloro(difluoro)methoxy]ethylcyclohexane

C9H15ClF2O — CID 101034478

IUPAC2-[chloro(difluoro)methoxy]ethylcyclohexane
SMILESFC(F)(Cl)OCCC1CCCCC1
InChIInChI=1S/C9H15ClF2O/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyNLURVCUCHKNWTL-UHFFFAOYSA-N
MW212.67 g/mol
LogP3.76
Rot. Bonds4

About 2-[chloro(difluoro)methoxy]ethylcyclohexane

2-[chloro(difluoro)methoxy]ethylcyclohexane (PubChem CID 101034478) has the molecular formula C9H15ClF2O and a molecular weight of 212.67 g/mol. Its IUPAC name is 2-[chloro(difluoro)methoxy]ethylcyclohexane.

Molecular Properties

Compound Name2-[chloro(difluoro)methoxy]ethylcyclohexane
PubChem CID101034478
Molecular FormulaC9H15ClF2O
Molecular Weight212.67 g/mol
Exact Mass212.08
IUPAC Name2-[chloro(difluoro)methoxy]ethylcyclohexane
SMILESFC(F)(Cl)OCCC1CCCCC1
InChIInChI=1S/C9H15ClF2O/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyNLURVCUCHKNWTL-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methoxy]ethylcyclohexane?
The IUPAC name of 2-[chloro(difluoro)methoxy]ethylcyclohexane (CID 101034478) is 2-[chloro(difluoro)methoxy]ethylcyclohexane.
What is the SMILES notation for 2-[chloro(difluoro)methoxy]ethylcyclohexane?
The canonical SMILES for 2-[chloro(difluoro)methoxy]ethylcyclohexane is FC(F)(Cl)OCCC1CCCCC1.
What is the InChIKey of 2-[chloro(difluoro)methoxy]ethylcyclohexane?
The InChIKey is NLURVCUCHKNWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF2O/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 2-[chloro(difluoro)methoxy]ethylcyclohexane?
2-[chloro(difluoro)methoxy]ethylcyclohexane has a molecular weight of 212.67 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methoxy]ethylcyclohexane is sourced from PubChem (CID 101034478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).