cyclohexylmethyl carbonofluoridate

C8H13FO2 — CID 135002615

IUPACcyclohexylmethyl carbonofluoridate
SMILESO=C(F)OCC1CCCCC1
InChIInChI=1S/C8H13FO2/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyOKAVPRKJOVCRST-UHFFFAOYSA-N
MW160.19 g/mol
LogP2.67
Rot. Bonds2

About cyclohexylmethyl carbonofluoridate

cyclohexylmethyl carbonofluoridate (PubChem CID 135002615) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is cyclohexylmethyl carbonofluoridate.

Molecular Properties

Compound Namecyclohexylmethyl carbonofluoridate
PubChem CID135002615
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Namecyclohexylmethyl carbonofluoridate
SMILESO=C(F)OCC1CCCCC1
InChIInChI=1S/C8H13FO2/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyOKAVPRKJOVCRST-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.67
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 cyclohexylmethyl carbonofluoridate?
The IUPAC name of cyclohexylmethyl carbonofluoridate (CID 135002615) is cyclohexylmethyl carbonofluoridate.
What is the SMILES notation for cyclohexylmethyl carbonofluoridate?
The canonical SMILES for cyclohexylmethyl carbonofluoridate is O=C(F)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl carbonofluoridate?
The InChIKey is OKAVPRKJOVCRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of cyclohexylmethyl carbonofluoridate?
cyclohexylmethyl carbonofluoridate has a molecular weight of 160.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl carbonofluoridate is sourced from PubChem (CID 135002615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).