carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene

C22H32F2O — CID 90949618

IUPACcarbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCC1CCC(CCC2CCC(c3ccccc3)CC2)CC1.O=C(F)F
InChIInChI=1S/C21H32.CF2O/c1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20;2-1(3)4/h2-6,17-19,21H,7-16H2,1H3;
InChIKeyFFJDOTYTIMBSJX-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.61
Rot. Bonds4

About carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene

carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 90949618) has the molecular formula C22H32F2O and a molecular weight of 350.49 g/mol. Its IUPAC name is carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Namecarbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID90949618
Molecular FormulaC22H32F2O
Molecular Weight350.49 g/mol
Exact Mass350.24
IUPAC Namecarbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCC1CCC(CCC2CCC(c3ccccc3)CC2)CC1.O=C(F)F
InChIInChI=1S/C21H32.CF2O/c1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20;2-1(3)4/h2-6,17-19,21H,7-16H2,1H3;
InChIKeyFFJDOTYTIMBSJX-UHFFFAOYSA-N
XLogP7.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene (CID 90949618) is carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene is CC1CCC(CCC2CCC(c3ccccc3)CC2)CC1.O=C(F)F.
What is the InChIKey of carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is FFJDOTYTIMBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32.CF2O/c1-17-7-9-18(10-8-17)11-12-19-13-15-21(16-14-19)20-5-3-2-4-6-20;2-1(3)4/h2-6,17-19,21H,7-16H2,1H3;.
What are the key properties of carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene?
carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 350.49 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl difluoride;[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 90949618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).