(4-chlorocyclohexyl) carbonofluoridate

C7H10ClFO2 — CID 126746192

IUPAC(4-chlorocyclohexyl) carbonofluoridate
SMILESO=C(F)OC1CCC(Cl)CC1
InChIInChI=1S/C7H10ClFO2/c8-5-1-3-6(4-2-5)11-7(9)10/h5-6H,1-4H2
InChIKeyCVOFTMRDJIRXTC-UHFFFAOYSA-N
MW180.61 g/mol
LogP2.64
Rot. Bonds1

About (4-chlorocyclohexyl) carbonofluoridate

(4-chlorocyclohexyl) carbonofluoridate (PubChem CID 126746192) has the molecular formula C7H10ClFO2 and a molecular weight of 180.61 g/mol. Its IUPAC name is (4-chlorocyclohexyl) carbonofluoridate.

Molecular Properties

Compound Name(4-chlorocyclohexyl) carbonofluoridate
PubChem CID126746192
Molecular FormulaC7H10ClFO2
Molecular Weight180.61 g/mol
Exact Mass180.04
IUPAC Name(4-chlorocyclohexyl) carbonofluoridate
SMILESO=C(F)OC1CCC(Cl)CC1
InChIInChI=1S/C7H10ClFO2/c8-5-1-3-6(4-2-5)11-7(9)10/h5-6H,1-4H2
InChIKeyCVOFTMRDJIRXTC-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.61
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorocyclohexyl) carbonofluoridate?
The IUPAC name of (4-chlorocyclohexyl) carbonofluoridate (CID 126746192) is (4-chlorocyclohexyl) carbonofluoridate.
What is the SMILES notation for (4-chlorocyclohexyl) carbonofluoridate?
The canonical SMILES for (4-chlorocyclohexyl) carbonofluoridate is O=C(F)OC1CCC(Cl)CC1.
What is the InChIKey of (4-chlorocyclohexyl) carbonofluoridate?
The InChIKey is CVOFTMRDJIRXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO2/c8-5-1-3-6(4-2-5)11-7(9)10/h5-6H,1-4H2.
What are the key properties of (4-chlorocyclohexyl) carbonofluoridate?
(4-chlorocyclohexyl) carbonofluoridate has a molecular weight of 180.61 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorocyclohexyl) carbonofluoridate is sourced from PubChem (CID 126746192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).