1,1-difluoro-4-nitrosocyclohexane

C6H9F2NO — CID 156851306

IUPAC1,1-difluoro-4-nitrosocyclohexane
SMILESO=NC1CCC(F)(F)CC1
InChIInChI=1S/C6H9F2NO/c7-6(8)3-1-5(9-10)2-4-6/h5H,1-4H2
InChIKeyVSYULNCFBKHMCO-UHFFFAOYSA-N
MW149.14 g/mol
LogP2.33
Rot. Bonds1

About 1,1-difluoro-4-nitrosocyclohexane

1,1-difluoro-4-nitrosocyclohexane (PubChem CID 156851306) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1,1-difluoro-4-nitrosocyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-nitrosocyclohexane
PubChem CID156851306
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1,1-difluoro-4-nitrosocyclohexane
SMILESO=NC1CCC(F)(F)CC1
InChIInChI=1S/C6H9F2NO/c7-6(8)3-1-5(9-10)2-4-6/h5H,1-4H2
InChIKeyVSYULNCFBKHMCO-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-nitrosocyclohexane?
The IUPAC name of 1,1-difluoro-4-nitrosocyclohexane (CID 156851306) is 1,1-difluoro-4-nitrosocyclohexane.
What is the SMILES notation for 1,1-difluoro-4-nitrosocyclohexane?
The canonical SMILES for 1,1-difluoro-4-nitrosocyclohexane is O=NC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-nitrosocyclohexane?
The InChIKey is VSYULNCFBKHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)3-1-5(9-10)2-4-6/h5H,1-4H2.
What are the key properties of 1,1-difluoro-4-nitrosocyclohexane?
1,1-difluoro-4-nitrosocyclohexane has a molecular weight of 149.14 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-nitrosocyclohexane is sourced from PubChem (CID 156851306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).