carbonyl difluoride;methoxycyclohexane

C8H14F2O2 — CID 158973981

IUPACcarbonyl difluoride;methoxycyclohexane
SMILESCOC1CCCCC1.O=C(F)F
InChIInChI=1S/C7H14O.CF2O/c1-8-7-5-3-2-4-6-7;2-1(3)4/h7H,2-6H2,1H3;
InChIKeyJODPVBAYFPLZFS-UHFFFAOYSA-N
MW180.19 g/mol
LogP3.01
Rot. Bonds1

About carbonyl difluoride;methoxycyclohexane

carbonyl difluoride;methoxycyclohexane (PubChem CID 158973981) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is carbonyl difluoride;methoxycyclohexane.

Molecular Properties

Compound Namecarbonyl difluoride;methoxycyclohexane
PubChem CID158973981
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Namecarbonyl difluoride;methoxycyclohexane
SMILESCOC1CCCCC1.O=C(F)F
InChIInChI=1S/C7H14O.CF2O/c1-8-7-5-3-2-4-6-7;2-1(3)4/h7H,2-6H2,1H3;
InChIKeyJODPVBAYFPLZFS-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonyl difluoride;methoxycyclohexane?
The IUPAC name of carbonyl difluoride;methoxycyclohexane (CID 158973981) is carbonyl difluoride;methoxycyclohexane.
What is the SMILES notation for carbonyl difluoride;methoxycyclohexane?
The canonical SMILES for carbonyl difluoride;methoxycyclohexane is COC1CCCCC1.O=C(F)F.
What is the InChIKey of carbonyl difluoride;methoxycyclohexane?
The InChIKey is JODPVBAYFPLZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.CF2O/c1-8-7-5-3-2-4-6-7;2-1(3)4/h7H,2-6H2,1H3;.
What are the key properties of carbonyl difluoride;methoxycyclohexane?
carbonyl difluoride;methoxycyclohexane has a molecular weight of 180.19 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl difluoride;methoxycyclohexane is sourced from PubChem (CID 158973981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).