cyclohexen-1-yl carbonofluoridate

C7H9FO2 — CID 54485933

IUPACcyclohexen-1-yl carbonofluoridate
SMILESO=C(F)OC1=CCCCC1
InChIInChI=1S/C7H9FO2/c8-7(9)10-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyXSHKUFCZTYBLJK-UHFFFAOYSA-N
MW144.15 g/mol
LogP2.55
Rot. Bonds1

About cyclohexen-1-yl carbonofluoridate

cyclohexen-1-yl carbonofluoridate (PubChem CID 54485933) has the molecular formula C7H9FO2 and a molecular weight of 144.15 g/mol. Its IUPAC name is cyclohexen-1-yl carbonofluoridate.

Molecular Properties

Compound Namecyclohexen-1-yl carbonofluoridate
PubChem CID54485933
Molecular FormulaC7H9FO2
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Namecyclohexen-1-yl carbonofluoridate
SMILESO=C(F)OC1=CCCCC1
InChIInChI=1S/C7H9FO2/c8-7(9)10-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyXSHKUFCZTYBLJK-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexen-1-yl trifluoroacetate
CID 14140921
6-Fluoro-1-methoxycyclohex-1-ene
CID 13665109
Cyclohexen-1-yl carbonochloridate
CID 12429488
1-(Fluoromethoxy)cyclohexene
CID 21447465
(6S)-6-fluoro-1-methoxycyclohexene
CID 89044719
4-Fluoro-1-methoxycyclohexene
CID 143420106
1-(Trifluoromethoxy)cyclohexene
CID 143617931
Cyclohexen-1-yl 2,2-difluoroacetate
CID 154088035
Cyclohexen-1-yl formate
CID 18622427
Cyclohexen-1-yl hydrogen carbonate
CID 57063010
Cyclohexen-1-yl carbonobromidate
CID 171545592

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl carbonofluoridate?
The IUPAC name of cyclohexen-1-yl carbonofluoridate (CID 54485933) is cyclohexen-1-yl carbonofluoridate.
What is the SMILES notation for cyclohexen-1-yl carbonofluoridate?
The canonical SMILES for cyclohexen-1-yl carbonofluoridate is O=C(F)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl carbonofluoridate?
The InChIKey is XSHKUFCZTYBLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c8-7(9)10-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of cyclohexen-1-yl carbonofluoridate?
cyclohexen-1-yl carbonofluoridate has a molecular weight of 144.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl carbonofluoridate is sourced from PubChem (CID 54485933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).